CID 75488632

2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H5NO4
SMILES
CN1C(=O)C=C(O1)C(=O)O
InChI
InChI=1S/C5H5NO4/c1-6-4(7)2-3(10-6)5(8)9/h2H,1H3,(H,8,9)
InChIKey
TXZAVECFEDUDCB-UHFFFAOYSA-N
Compound name
2-methyl-3-oxo-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.02185 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02913 121.4
[M+Na]+ 166.01107 132.0
[M-H]- 142.01457 124.1
[M+NH4]+ 161.05567 141.7
[M+K]+ 181.98501 132.5
[M+H-H2O]+ 126.01911 116.4
[M+HCOO]- 188.02005 144.5
[M+CH3COO]- 202.03570 169.0
[M+Na-2H]- 163.99652 127.3
[M]+ 143.02130 124.3
[M]- 143.02240 124.3
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.