CID 3084676

5-oxo-2,5-dihydro-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C4H4N2O3
SMILES
C1=C(NNC1=O)C(=O)O
InChI
InChI=1S/C4H4N2O3/c7-3-1-2(4(8)9)5-6-3/h1H,(H,8,9)(H2,5,6,7)
InChIKey
FERCTUUKKXAWIL-UHFFFAOYSA-N
Compound name
5-oxo-1,2-dihydropyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

530
Patents

128.02219 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.029466 121.4
[M+Na]+ 151.011408 130.6
[M-H]- 127.014914 119.0
[M+NH4]+ 146.056013 140.4
[M+K]+ 166.985348 128.0
[M+H-H2O]+ 111.019450 115.6
[M+HCOO]- 173.020391 141.2
[M+CH3COO]- 187.036041 160.4
[M+Na-2H]- 148.996856 126.3
[M]+ 128.02164142 118.1
[M]- 128.02273858 118.1
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