Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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(+/-) Nicotine

(+/-) Nicotine synonyms

(S)-3-(1-methylpyrrolidin-2-yl)pyridine; Nicotine


Graphical representations:

(+/-) Nicotine image

Molecular Formula: C10 H14 N2

Natural Isotopic Abundance Mass: 162.2315600000

Mono-Isotopic Molecular Masses:

  • C12N14: 162.11569846
  • C13N14: 172.149246838
  • C12N15: 164.109768246
  • C13N15: 174.1433166242

InCHi String:

isomeric SMILES: CN1CCC[14C@H]1C2=CN=CC=C2

canonical SMILES: CN1CCCC1C2=CN=CC=C2

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic

PubChem Substance (SID):   85164941   752807   4007
PubChem Compound (CID):   175605
KEGG: Compound ID   C00745
CAS Registry IDs:   94292-33-8
PDB Chemical Component   NCT
Miscellaneous Databases and IDs:   CHEBI 17688

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.