CID 82594452

2-methoxy-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H5NO4
SMILES
COC1=NC(=CO1)C(=O)O
InChI
InChI=1S/C5H5NO4/c1-9-5-6-3(2-10-5)4(7)8/h2H,1H3,(H,7,8)
InChIKey
ZIYJUVBVFFIEIR-UHFFFAOYSA-N
Compound name
2-methoxy-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.02185 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02913 122.8
[M+Na]+ 166.01107 132.2
[M-H]- 142.01457 125.1
[M+NH4]+ 161.05567 142.8
[M+K]+ 181.98501 133.3
[M+H-H2O]+ 126.01911 117.4
[M+HCOO]- 188.02005 145.8
[M+CH3COO]- 202.03570 168.5
[M+Na-2H]- 163.99652 129.4
[M]+ 143.02130 126.0
[M]- 143.02240 126.0
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.