CID 24976859

22667-21-6

Structural Information

Molecular Formula
C6H5NO4
SMILES
COC(=O)C1=NOC(=C1)C=O
InChI
InChI=1S/C6H5NO4/c1-10-6(9)5-2-4(3-8)11-7-5/h2-3H,1H3
InChIKey
RSOKVJLXFFQLLB-UHFFFAOYSA-N
Compound name
methyl 5-formyl-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

155.02185 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02913 125.6
[M+Na]+ 178.01107 135.4
[M-H]- 154.01457 129.2
[M+NH4]+ 173.05567 145.8
[M+K]+ 193.98501 136.6
[M+H-H2O]+ 138.01911 119.9
[M+HCOO]- 200.02005 150.0
[M+CH3COO]- 214.03570 172.6
[M+Na-2H]- 175.99652 132.2
[M]+ 155.02130 130.3
[M]- 155.02240 130.3
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