CID 70173005

5-hydroxy-1-methyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H6N2O3
SMILES
CN1C(=O)C(=CN1)C(=O)O
InChI
InChI=1S/C5H6N2O3/c1-7-4(8)3(2-6-7)5(9)10/h2,6H,1H3,(H,9,10)
InChIKey
HOZYZKCJNAKAIR-UHFFFAOYSA-N
Compound name
2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

142.03784 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.045116 124.5
[M+Na]+ 165.027058 134.6
[M-H]- 141.030564 123.7
[M+NH4]+ 160.071663 144.0
[M+K]+ 181.000998 132.7
[M+H-H2O]+ 125.035100 118.7
[M+HCOO]- 187.036041 145.5
[M+CH3COO]- 201.051691 167.1
[M+Na-2H]- 163.012506 128.7
[M]+ 142.03729142 123.9
[M]- 142.03838858 123.9
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