CID 64956

144-90-1

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

7
Annotation Hits: 224
References: 21302
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]+	104.070606	120.5
[M+Na]+	126.052548	127.0
[M-H]-	102.056054	119.2
[M+NH4]+	121.097153	142.2
[M+K]+	142.026488	127.2
[M+H-H2O]+	86.060590	116.1
[M+HCOO]-	148.061531	142.4
[M+CH3COO]-	162.077181	167.3
[M+Na-2H]-	124.037996	124.5
[M]+	103.06278142	118.0
[M]-	103.06387858	118.0

Literature stripe

literature stripe

Patent stripe

patents stripe