CID 75124043

Methyl 5-carbamoyl-1-methyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C7H9N3O3
SMILES
CN1C(=CC(=N1)C(=O)OC)C(=O)N
InChI
InChI=1S/C7H9N3O3/c1-10-5(6(8)11)3-4(9-10)7(12)13-2/h3H,1-2H3,(H2,8,11)
InChIKey
GVHTUTAPGOWNIV-UHFFFAOYSA-N
Compound name
methyl 5-carbamoyl-1-methylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

183.06439 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.071666 136.5
[M+Na]+ 206.053608 145.5
[M-H]- 182.057114 137.9
[M+NH4]+ 201.098213 155.1
[M+K]+ 222.027548 145.1
[M+H-H2O]+ 166.061650 129.6
[M+HCOO]- 228.062591 159.3
[M+CH3COO]- 242.078241 182.8
[M+Na-2H]- 204.039056 139.0
[M]+ 183.06384142 137.9
[M]- 183.06493858 137.9
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