CID 212128

O-nicotine

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CN1CCCC1C2=CC=CC=N2

InChI

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

InChIKey

AQCRXZYYMOXFAN-UHFFFAOYSA-N

Compound name

2-(1-methylpyrrolidin-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1107
Patents: 162.11569 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.12297	135.1
[M+Na]+	185.10491	142.3
[M-H]-	161.10841	138.7
[M+NH4]+	180.14951	154.8
[M+K]+	201.07885	139.9
[M+H-H2O]+	145.11295	127.1
[M+HCOO]-	207.11389	156.1
[M+CH3COO]-	221.12954	148.1
[M+Na-2H]-	183.09036	139.9
[M]+	162.11514	132.1
[M]-	162.11624	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe