CID 64956

Dl-3-aminoisobutyric acid

Structural Information

Molecular Formula

SMILES

CC(CN)C(=O)O

InChI

InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

InChIKey

QCHPKSFMDHPSNR-UHFFFAOYSA-N

Compound name

3-amino-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 223
References: 11094
Patents: 103.06333 Da
Monoisotopic Mass: -2.9
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]+	104.07061	119.9
[M+Na]+	126.05255	128.1
[M+NH4]+	121.09715	126.8
[M+K]+	142.02649	125.1
[M-H]-	102.05605	118.3
[M+Na-2H]-	124.03800	122.3
[M]+	103.06278	120.1
[M]-	103.06388	120.1

Literature stripe

literature stripe

Patent stripe

patents stripe