CID 135973146

Potassium 5-oxo-2,5-dihydro-1,2,4-oxadiazole-3-carboxylate

Structural Information

Molecular Formula
C3H2N2O4
SMILES
C1(=NOC(=O)N1)C(=O)O
InChI
InChI=1S/C3H2N2O4/c6-2(7)1-4-3(8)9-5-1/h(H,6,7)(H,4,5,8)
InChIKey
QINVTJSYBMDSPK-UHFFFAOYSA-N
Compound name
5-oxo-4H-1,2,4-oxadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
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

No literature data available for this compound.

Patent stripe

patents stripe