CID 11388

Anatabine

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

C1C=CCN[C@@H]1C2=CN=CC=C2

InChI

InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1

InChIKey

SOPPBXUYQGUQHE-JTQLQIEISA-N

Compound name

3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 93
References: 3006
Patents: 160.10005 Da
Monoisotopic Mass: 0.9
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]+	161.10733	134.1
[M+Na]+	183.08927	140.0
[M-H]-	159.09277	136.0
[M+NH4]+	178.13387	150.9
[M+K]+	199.06321	136.2
[M+H-H2O]+	143.09731	125.9
[M+HCOO]-	205.09825	152.8
[M+CH3COO]-	219.11390	145.8
[M+Na-2H]-	181.07472	142.1
[M]+	160.09950	128.0
[M]-	160.10060	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe