CID 14214359

Sodium 2-amino-4-hydroxy-4-methylpentanoate

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

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

InChI

InChI=1S/C6H13NO3/c1-6(2,10)3-4(7)5(8)9/h4,10H,3,7H2,1-2H3,(H,8,9)

InChIKey

KEEQSWOXTDTQJV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 147.08954 Da
Monoisotopic Mass: -3.1
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	132.2
[M+Na]+	170.07876	137.9
[M-H]-	146.08226	129.4
[M+NH4]+	165.12336	151.5
[M+K]+	186.05270	137.6
[M+H-H2O]+	130.08680	128.2
[M+HCOO]-	192.08774	150.7
[M+CH3COO]-	206.10339	173.3
[M+Na-2H]-	168.06421	135.5
[M]+	147.08899	129.6
[M]-	147.09009	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe