CID 239539

Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate

Structural Information

Molecular Formula
C6H7NO4
SMILES
CCOC(=O)C1=CNOC1=O
InChI
InChI=1S/C6H7NO4/c1-2-10-5(8)4-3-7-11-6(4)9/h3,7H,2H2,1H3
InChIKey
VRYNOAFUGQRIQV-UHFFFAOYSA-N
Compound name
ethyl 5-oxo-2H-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

157.0375 Da
Monoisotopic Mass

0.7
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

literature stripe

Patent stripe

patents stripe