CID 12419040

4-amino-3-hydroxy-3-methylbutanoic acid hydrochloride

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

CC(CC(=O)O)(CN)O

InChI

InChI=1S/C5H11NO3/c1-5(9,3-6)2-4(7)8/h9H,2-3,6H2,1H3,(H,7,8)

InChIKey

HPWNGDFGOGOKCN-UHFFFAOYSA-N

Compound name

4-amino-3-hydroxy-3-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 133.0739 Da
Monoisotopic Mass: -3.9
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]+	134.08118	126.8
[M+Na]+	156.06312	133.9
[M+NH4]+	151.10772	132.6
[M+K]+	172.03706	132.0
[M-H]-	132.06662	123.8
[M+Na-2H]-	154.04857	128.2
[M]+	133.07335	126.4
[M]-	133.07445	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe