CID 2734894

3373-59-9

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

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

InChI

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

InChIKey

TVHCXXXXQNWQLP-DMTCNVIQSA-N

Compound name

methyl (2S,3R)-2-amino-3-hydroxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 1901
Patents: 133.0739 Da
Monoisotopic Mass: -1.0
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	127.6
[M+Na]+	156.06312	134.8
[M+NH4]+	151.10772	133.7
[M+K]+	172.03706	133.0
[M-H]-	132.06662	125.3
[M+Na-2H]-	154.04857	128.9
[M]+	133.07335	127.4
[M]-	133.07445	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe