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]+ 143.04512 126.8
[M+Na]+ 165.02706 137.0
[M+NH4]+ 160.07166 132.8
[M+K]+ 181.00100 136.0
[M-H]- 141.03056 124.7
[M+Na-2H]- 163.01251 130.1
[M]+ 142.03729 127.2
[M]- 142.03839 127.2
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.

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No patent data available for this compound.