CID 375175

Anabaseine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

C1=CC(=CN=C1)C(=O)CCCCN

InChI

InChI=1S/C10H14N2O/c11-6-2-1-5-10(13)9-4-3-7-12-8-9/h3-4,7-8H,1-2,5-6,11H2

InChIKey

GSEJHUSUJYZWBW-UHFFFAOYSA-N

Compound name

5-amino-1-pyridin-3-ylpentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 30
References: 49
Patents: 178.11061 Da
Monoisotopic Mass: 0.1
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]+	179.11789	139.9
[M+Na]+	201.09983	146.0
[M-H]-	177.10333	141.2
[M+NH4]+	196.14443	157.9
[M+K]+	217.07377	143.6
[M+H-H2O]+	161.10787	132.7
[M+HCOO]-	223.10881	162.6
[M+CH3COO]-	237.12446	183.1
[M+Na-2H]-	199.08528	145.6
[M]+	178.11006	139.0
[M]-	178.11116	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe