CID 192763

2280-27-5

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

CC(C)([C@@H](C(=O)O)N)O

InChI

InChI=1S/C5H11NO3/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1

InChIKey

LDRFQSZFVGJGGP-GSVOUGTGSA-N

Compound name

(2S)-2-amino-3-hydroxy-3-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1049
Patents: 133.0739 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]+	134.08118	127.1
[M+Na]+	156.06312	133.8
[M+NH4]+	151.10772	132.8
[M+K]+	172.03706	132.8
[M-H]-	132.06662	123.8
[M+Na-2H]-	154.04857	128.1
[M]+	133.07335	126.6
[M]-	133.07445	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe