CID 82418016

4-hydroxy-1-methyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C5H6N2O3
SMILES
CN1C=C(C(=N1)C(=O)O)O
InChI
InChI=1S/C5H6N2O3/c1-7-2-3(8)4(6-7)5(9)10/h2,8H,1H3,(H,9,10)
InChIKey
NMTJRPWXNJNNIC-UHFFFAOYSA-N
Compound name
4-hydroxy-1-methylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.03784 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.045116 125.2
[M+Na]+ 165.027058 135.1
[M-H]- 141.030564 124.5
[M+NH4]+ 160.071663 144.8
[M+K]+ 181.000998 133.8
[M+H-H2O]+ 125.035100 119.4
[M+HCOO]- 187.036041 146.0
[M+CH3COO]- 201.051691 167.9
[M+Na-2H]- 163.012506 129.5
[M]+ 142.03729142 125.3
[M]- 142.03838858 125.3
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

No patent data available for this compound.