CID 66174553

Methyl 3-amino-2-hydroxy-2-methylpropanoate hydrochloride

Structural Information

Molecular Formula
C5H11NO3
SMILES
CC(CN)(C(=O)OC)O
InChI
InChI=1S/C5H11NO3/c1-5(8,3-6)4(7)9-2/h8H,3,6H2,1-2H3
InChIKey
AFFINLHJVCGRDV-UHFFFAOYSA-N
Compound name
methyl 3-amino-2-hydroxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

133.0739 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe