PubChemLite - Nicotine (C10H14N2)

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CN1CCC[C@H]1C2=CN=CC=C2

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

Compound name

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

Related CIDs

2D Structure

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

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Nicotine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe