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<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 18:50:57 UTC</creation_date>
  <update_date>2026-04-04 18:50:57 UTC</update_date>
  <accession/>
  <common_name>(1-Carboxylatotridecyl)trimethylammonium</common_name>
  <class>SmallMolecule</class>
  <description>(1-Carboxylatotridecyl)trimethylammonium is an organic compound with the formula C17H36NO2 and an average molecular weight of 285.47 g/mol. (1-Carboxylatotridecyl)trimethylammonium belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds.

This compound has been identified in or released from four recorded sources. These include building and construction materials such as ceilings, and household items including watch chains and soap dispensers. Additionally, it is associated with food, food processing, and cookware, specifically in the processing of meats.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C17H36NO2</chemical_formula>
  <average_molecular_weight>285.472</average_molecular_weight>
  <monisotopic_moleculate_weight>286.2746044</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>686-83-9</cas_registry_number>
  <smiles>CCCCCCCCCCCCC(C([O-])=O)[N+](C)(C)C</smiles>
  <inchi>InChI=1/C17H35NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16(17(19)20)18(2,3)4/h16H,5-15H2,1-4H3</inchi>
  <inchikey>LVBSECZFJBGOCR-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
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    <substituents/>
    <molecular_framework/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
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  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>285.472</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>286.2746044</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCC(C([O-])=O)[N+](C)(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C17H36NO2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C17H35NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16(17(19)20)18(2,3)4/h16H,5-15H2,1-4H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LVBSECZFJBGOCR-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <lethaldose/>
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  <use_source/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>101833</pubchem_compound_id>
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