CID 19623310

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

Structural Information

Molecular Formula
C6H7N3O3
SMILES
CN1C(=C(C=N1)C(=O)O)C(=O)N
InChI
InChI=1S/C6H7N3O3/c1-9-4(5(7)10)3(2-8-9)6(11)12/h2H,1H3,(H2,7,10)(H,11,12)
InChIKey
ZHOSBYPCBWCJAG-UHFFFAOYSA-N
Compound name
5-carbamoyl-1-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

169.04874 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 132.5
[M+Na]+ 192.03796 141.5
[M-H]- 168.04146 132.6
[M+NH4]+ 187.08256 150.9
[M+K]+ 208.01190 140.3
[M+H-H2O]+ 152.04600 125.9
[M+HCOO]- 214.04694 154.1
[M+CH3COO]- 228.06259 178.0
[M+Na-2H]- 190.02341 135.0
[M]+ 169.04819 131.7
[M]- 169.04929 131.7
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