CID 131467984

Methyl 5-formyl-1,3-oxazole-2-carboxylate

Structural Information

Molecular Formula
C6H5NO4
SMILES
COC(=O)C1=NC=C(O1)C=O
InChI
InChI=1S/C6H5NO4/c1-10-6(9)5-7-2-4(3-8)11-5/h2-3H,1H3
InChIKey
LZHHRKGMWMLQLG-UHFFFAOYSA-N
Compound name
methyl 5-formyl-1,3-oxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.02185 Da
Monoisotopic Mass

0.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.