CID 3759025

22050-03-9

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CC(CCN)C(=O)O

InChI

InChI=1S/C5H11NO2/c1-4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)

InChIKey

AEBRINKRALSWNY-UHFFFAOYSA-N

Compound name

4-amino-2-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1557
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	124.3
[M+Na]+	140.06820	132.3
[M+NH4]+	135.11280	131.1
[M+K]+	156.04214	129.1
[M-H]-	116.07170	122.7
[M+Na-2H]-	138.05365	126.4
[M]+	117.07843	124.5
[M]-	117.07953	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe