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

21
Patents

183.06439 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07167 136.5
[M+Na]+ 206.05361 145.5
[M-H]- 182.05711 137.9
[M+NH4]+ 201.09821 155.1
[M+K]+ 222.02755 145.1
[M+H-H2O]+ 166.06165 129.6
[M+HCOO]- 228.06259 159.3
[M+CH3COO]- 242.07824 182.8
[M+Na-2H]- 204.03906 139.0
[M]+ 183.06384 137.9
[M]- 183.06494 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