CID 94744

2-amino-2-methylbutyric acid

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CCC(C)(C(=O)O)N

InChI

InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)

InChIKey

GCHPUFAZSONQIV-UHFFFAOYSA-N

Compound name

2-amino-2-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 68
References: 6723
Patents: 117.07898 Da
Monoisotopic Mass: -2.3
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	131.8
[M+NH4]+	135.11280	130.5
[M+K]+	156.04214	129.1
[M-H]-	116.07170	121.8
[M+Na-2H]-	138.05365	126.2
[M]+	117.07843	124.0
[M]-	117.07953	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe