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

2
Annotation Hits: 11
References: 2272
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]+	134.081176	128.3
[M+Na]+	156.063118	134.2
[M-H]-	132.066624	126.9
[M+NH4]+	151.107723	148.8
[M+K]+	172.037058	135.2
[M+H-H2O]+	116.071160	123.6
[M+HCOO]-	178.072101	149.2
[M+CH3COO]-	192.087751	172.7
[M+Na-2H]-	154.048566	130.5
[M]+	133.07335142	126.9
[M]-	133.07444858	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe