CID 13737171

4-(pyridin-2-yl)butanoic acid hydrochloride

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

C1=CC=NC(=C1)CCCC(=O)O

InChI

InChI=1S/C9H11NO2/c11-9(12)6-3-5-8-4-1-2-7-10-8/h1-2,4,7H,3,5-6H2,(H,11,12)

InChIKey

HUWVYTTVLDALOP-UHFFFAOYSA-N

Compound name

4-pyridin-2-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 165.07898 Da
Monoisotopic Mass: 0.6
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]+	166.08626	135.0
[M+Na]+	188.06820	147.0
[M+NH4]+	183.11280	142.5
[M+K]+	204.04214	141.2
[M-H]-	164.07170	135.5
[M+Na-2H]-	186.05365	141.3
[M]+	165.07843	136.7
[M]-	165.07953	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe