CID 18985

Anabaseine

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

C1CCN=C(C1)C2=CN=CC=C2

InChI

InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8H,1-2,5,7H2

InChIKey

AUBPMADJYNSPOA-UHFFFAOYSA-N

Compound name

3-(2,3,4,5-tetrahydropyridin-6-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 30
References: 565
Patents: 160.10005 Da
Monoisotopic Mass: 1.0
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	133.6
[M+Na]+	183.08927	139.9
[M-H]-	159.09277	136.8
[M+NH4]+	178.13387	151.1
[M+K]+	199.06321	137.1
[M+H-H2O]+	143.09731	125.0
[M+HCOO]-	205.09825	153.8
[M+CH3COO]-	219.11390	146.0
[M+Na-2H]-	181.07472	142.0
[M]+	160.09950	129.3
[M]-	160.10060	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe