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 125.2
[M+Na]+ 165.02706 135.1
[M-H]- 141.03056 124.5
[M+NH4]+ 160.07166 144.8
[M+K]+ 181.00100 133.8
[M+H-H2O]+ 125.03510 119.4
[M+HCOO]- 187.03604 146.0
[M+CH3COO]- 201.05169 167.9
[M+Na-2H]- 163.01251 129.5
[M]+ 142.03729 125.3
[M]- 142.03839 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.