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]+ 156.029126 125.6
[M+Na]+ 178.011068 135.4
[M-H]- 154.014574 129.2
[M+NH4]+ 173.055673 145.8
[M+K]+ 193.985008 136.6
[M+H-H2O]+ 138.019110 119.9
[M+HCOO]- 200.020051 150.0
[M+CH3COO]- 214.035701 172.6
[M+Na-2H]- 175.996516 132.2
[M]+ 155.02130142 130.3
[M]- 155.02239858 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.