CID 12247742

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

Structural Information

Molecular Formula
C5H6N2O3
SMILES
CN1C(=CC(=O)N1)C(=O)O
InChI
InChI=1S/C5H6N2O3/c1-7-3(5(9)10)2-4(8)6-7/h2H,1H3,(H,6,8)(H,9,10)
InChIKey
SLVOOWWSQZFRPK-UHFFFAOYSA-N
Compound name
2-methyl-5-oxo-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

142.03784 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.04512 124.5
[M+Na]+ 165.02706 134.6
[M-H]- 141.03056 123.7
[M+NH4]+ 160.07166 144.0
[M+K]+ 181.00100 132.7
[M+H-H2O]+ 125.03510 118.7
[M+HCOO]- 187.03604 145.5
[M+CH3COO]- 201.05169 167.1
[M+Na-2H]- 163.01251 128.7
[M]+ 142.03729 123.9
[M]- 142.03839 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