CID 448650

4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid

Structural Information

Molecular Formula
C3H2N2O4
SMILES
C1(=NONC1=O)C(=O)O
InChI
InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
InChIKey
IBRWUZLLHSXPKL-UHFFFAOYSA-N
Compound name
4-oxo-1,2,5-oxadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

29
Patents

130.00145 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.00873 118.3
[M+Na]+ 152.99067 128.3
[M-H]- 128.99417 118.0
[M+NH4]+ 148.03527 136.5
[M+K]+ 168.96461 128.2
[M+H-H2O]+ 112.99871 112.4
[M+HCOO]- 174.99965 139.2
[M+CH3COO]- 189.01530 162.1
[M+Na-2H]- 150.97612 125.1
[M]+ 130.00090 118.6
[M]- 130.00200 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

literature stripe

Patent stripe

patents stripe