CID 354197

2-amino-4-hydroxy-3-methylpentanoic acid

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

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

InChI

InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)

InChIKey

OSCCDBFHNMXNME-UHFFFAOYSA-N

Compound name

2-amino-4-hydroxy-3-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 66
References: 1709
Patents: 147.08954 Da
Monoisotopic Mass: -2.8
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]+	148.09682	133.6
[M+Na]+	170.07876	138.5
[M-H]-	146.08226	130.7
[M+NH4]+	165.12336	152.7
[M+K]+	186.05270	138.7
[M+H-H2O]+	130.08680	129.0
[M+HCOO]-	192.08774	151.7
[M+CH3COO]-	206.10339	175.0
[M+Na-2H]-	168.06421	133.5
[M]+	147.08899	130.2
[M]-	147.09009	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe