CID 10583255

Ethyl 2-formyl-1,3-oxazole-4-carboxylate

Structural Information

Molecular Formula
C7H7NO4
SMILES
CCOC(=O)C1=COC(=N1)C=O
InChI
InChI=1S/C7H7NO4/c1-2-11-7(10)5-4-12-6(3-9)8-5/h3-4H,2H2,1H3
InChIKey
GCCVOQPMHVWBLV-UHFFFAOYSA-N
Compound name
ethyl 2-formyl-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

169.0375 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 130.4
[M+Na]+ 192.02672 139.7
[M-H]- 168.03022 133.8
[M+NH4]+ 187.07132 150.1
[M+K]+ 208.00066 140.7
[M+H-H2O]+ 152.03476 124.5
[M+HCOO]- 214.03570 154.5
[M+CH3COO]- 228.05135 175.6
[M+Na-2H]- 190.01217 136.5
[M]+ 169.03695 135.4
[M]- 169.03805 135.4
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