CID 138

5-aminovaleric acid

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C(CCN)CC(=O)O

InChI

InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)

InChIKey

JJMDCOVWQOJGCB-UHFFFAOYSA-N

Compound name

5-aminopentanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 192
References: 15229
Patents: 117.07898 Da
Monoisotopic Mass: -2.6
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]+	118.08626	123.8
[M+Na]+	140.06820	132.1
[M+NH4]+	135.11280	130.7
[M+K]+	156.04214	128.1
[M-H]-	116.07170	122.4
[M+Na-2H]-	138.05365	126.3
[M]+	117.07843	124.1
[M]-	117.07953	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe