CID 19744451

Ethyl 3-hydroxy-1,2-oxazole-5-carboxylate

Structural Information

Molecular Formula
C6H7NO4
SMILES
CCOC(=O)C1=CC(=O)NO1
InChI
InChI=1S/C6H7NO4/c1-2-10-6(9)4-3-5(8)7-11-4/h3H,2H2,1H3,(H,7,8)
InChIKey
WTLREFHTUZESDC-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-1,2-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

157.0375 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.044776 127.1
[M+Na]+ 180.026718 136.4
[M-H]- 156.030224 129.2
[M+NH4]+ 175.071323 146.5
[M+K]+ 196.000658 136.6
[M+H-H2O]+ 140.034760 121.5
[M+HCOO]- 202.035701 149.9
[M+CH3COO]- 216.051351 170.1
[M+Na-2H]- 178.012166 133.1
[M]+ 157.03695142 129.8
[M]- 157.03804858 129.8
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