(+/-) Nicotine

Nicotine synonyms

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

Wikipedia:

Graphical representations:

nicotine

View large 3D structure

Molecular Formula: C10H14N2

Natural Isotopic Abundance Mass: 162.2315600000

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1

IUPAC: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

PubChem Compound (CID): 175605
KEGG Compound ID: C00745
CAS Registry number: 94292-33-8
ChEBI: 17688
PDB Compound ID: NCT

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)