(+/-) Nicotine
Nicotine synonyms
Graphical representations:
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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): 175605KEGG 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)