CID 179423

2-amino-3-(5-oxo-1,2-oxazol-2-yl)propanoic acid

Structural Information

Molecular Formula
C6H8N2O4
SMILES
C1=CN(OC1=O)CC(C(=O)O)N
InChI
InChI=1S/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11)
InChIKey
BDHFFHBFJUZSBF-UHFFFAOYSA-N
Compound name
2-amino-3-(5-oxo-1,2-oxazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

172.0484 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05568 133.6
[M+Na]+ 195.03762 141.9
[M+NH4]+ 190.08222 138.8
[M+K]+ 211.01156 142.1
[M-H]- 171.04112 133.1
[M+Na-2H]- 193.02307 135.7
[M]+ 172.04785 134.0
[M]- 172.04895 134.0
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

No patent data available for this compound.