CID 12369652

3-hydroxyisoxazole-5-carboxylic acid

Structural Information

Molecular Formula
C4H3NO4
SMILES
C1=C(ONC1=O)C(=O)O
InChI
InChI=1S/C4H3NO4/c6-3-1-2(4(7)8)9-5-3/h1H,(H,5,6)(H,7,8)
InChIKey
VOCWBIGTEMMVGZ-UHFFFAOYSA-N
Compound name
3-oxo-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

311
Patents

129.00621 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.01349 118.4
[M+Na]+ 151.99543 128.0
[M-H]- 127.99893 119.5
[M+NH4]+ 147.04003 138.1
[M+K]+ 167.96937 127.8
[M+H-H2O]+ 112.00347 113.3
[M+HCOO]- 174.00441 140.3
[M+CH3COO]- 188.02006 162.2
[M+Na-2H]- 149.98088 124.9
[M]+ 129.00566 118.6
[M]- 129.00676 118.6
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

patents stripe