CID 10931849

89500-37-8

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

CC(CO)(C(=O)OC)N

InChI

InChI=1S/C5H11NO3/c1-5(6,3-7)4(8)9-2/h7H,3,6H2,1-2H3

InChIKey

VKHHAZQVRNQDHW-UHFFFAOYSA-N

Compound name

methyl 2-amino-3-hydroxy-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 133.0739 Da
Monoisotopic Mass: -1.3
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	127.1
[M+Na]+	156.063118	133.9
[M-H]-	132.066624	125.9
[M+NH4]+	151.107723	147.8
[M+K]+	172.037058	134.3
[M+H-H2O]+	116.071160	123.0
[M+HCOO]-	178.072101	148.4
[M+CH3COO]-	192.087751	171.2
[M+Na-2H]-	154.048566	132.7
[M]+	133.07335142	126.6
[M]-	133.07444858	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe