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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:55:00 UTC
Update Date2025-03-24 22:25:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01190249
Frequency1.1
Structure
Chemical FormulaC7H11N2+
Molecular Mass123.0917
SMILESCNc1cccc[n+]1C
InChI KeyYTIQFTPTAXWDTB-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-methylpyridinium compounds
  • organic cations
  • organopnictogen compounds
    • Substituents
  • n-methylpyridinium
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • secondary aliphatic/aromatic amine
  • pyridine
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic cation
  • organoheterocyclic compound