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(-) Nicotine
SpectraBase Compound ID Ji5AanJSblQ
InChI 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
InChIKey SNICXCGAKADSCV-JTQLQIEISA-N
Mol Weight 162.24 g/mol
Molecular Formula C10H14N2
Exact Mass 162.115698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAYni2uMag5
Name Nicotine
CAS Registry Number 54-11-5
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 162.115698459 u
Formula C10H14N2
InChI 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
InChIKey SNICXCGAKADSCV-JTQLQIEISA-N
Molecular Weight 162.236 g/mol
Number of Peaks 50
RI1 1348
SMILES CN1[C@@](CCC1)(c1cccnc1)[H]
SPLASH splash10-001i-9300000000-840bc9fbfd68a564f0a1
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Pyridine, 3-[(2S)-1-methyl-2-pyrrolidinyl]-
Wiley ID LM_FFNSC3_2390