CID 504015

Methyl 2-(4-amino-3-oxo-isoxazolidin-2-yl)propanoate

Structural Information

Molecular Formula
C7H12N2O4
SMILES
CC(C(=O)OC)N1C(=O)C(CO1)N
InChI
InChI=1S/C7H12N2O4/c1-4(7(11)12-2)9-6(10)5(8)3-13-9/h4-5H,3,8H2,1-2H3
InChIKey
MHFAUJGLHVFALH-UHFFFAOYSA-N
Compound name
methyl 2-(4-amino-3-oxo-1,2-oxazolidin-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

188.07971 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.08699 139.1
[M+Na]+ 211.06893 146.1
[M-H]- 187.07243 141.7
[M+NH4]+ 206.11353 157.4
[M+K]+ 227.04287 147.4
[M+H-H2O]+ 171.07697 133.1
[M+HCOO]- 233.07791 159.5
[M+CH3COO]- 247.09356 183.0
[M+Na-2H]- 209.05438 140.6
[M]+ 188.07916 139.2
[M]- 188.08026 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.