CID 7010355

2812-28-4

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

C[C@H]([C@@H](C(=O)O)NC)O

InChI

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

InChIKey

CCAIIPMIAFGKSI-DMTCNVIQSA-N

Compound name

(2S,3R)-3-hydroxy-2-(methylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6148
Patents: 133.0739 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]+	134.081176	128.3
[M+Na]+	156.063118	133.8
[M-H]-	132.066624	126.0
[M+NH4]+	151.107723	148.3
[M+K]+	172.037058	134.1
[M+H-H2O]+	116.071160	123.8
[M+HCOO]-	178.072101	148.3
[M+CH3COO]-	192.087751	171.5
[M+Na-2H]-	154.048566	131.1
[M]+	133.07335142	126.2
[M]-	133.07444858	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe