CID 24860324

753486-90-7

Structural Information

Molecular Formula
C6H7NO4
SMILES
CCOC(=O)C1=CONC1=O
InChI
InChI=1S/C6H7NO4/c1-2-10-6(9)4-3-11-7-5(4)8/h3H,2H2,1H3,(H,7,8)
InChIKey
NCWRNYBLEADUGK-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

157.0375 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04478 129.2
[M+Na]+ 180.02672 139.5
[M+NH4]+ 175.07132 135.3
[M+K]+ 196.00066 138.3
[M-H]- 156.03022 128.9
[M+Na-2H]- 178.01217 132.5
[M]+ 157.03695 130.2
[M]- 157.03805 130.2
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

patents stripe