CID 541783

3-amino-2-methylbutanoic acid hydrochloride

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CC(C(C)N)C(=O)O

InChI

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

InChIKey

RRWPLOJQTOADRZ-UHFFFAOYSA-N

Compound name

3-amino-2-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 62
Patents: 117.07898 Da
Monoisotopic Mass: -2.5
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	124.7
[M+Na]+	140.06820	132.4
[M+NH4]+	135.11280	131.4
[M+K]+	156.04214	130.0
[M-H]-	116.07170	122.9
[M+Na-2H]-	138.05365	126.4
[M]+	117.07843	124.8
[M]-	117.07953	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe