CID 431

Nicotine imine

Structural Information

Molecular Formula

C₁₀H₁₃N₂

SMILES

C[N+]1=CCCC1C2=CN=CC=C2

InChI

InChI=1S/C10H13N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3/q+1

InChIKey

GTQXYYYOJZZJHL-UHFFFAOYSA-N

Compound name

3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 50
Patents: 161.10788 Da
Monoisotopic Mass: 0.2
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]+	162.11516	132.4
[M+Na]+	184.09710	148.3
[M+NH4]+	179.14170	142.9
[M+K]+	200.07104	143.2
[M-H]-	160.10060	137.6
[M+Na-2H]-	182.08255	142.4
[M]+	161.10733	136.5
[M]-	161.10843	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe