CID 13926581

31055-19-3

Structural Information

Molecular Formula
C7H9N3O3
SMILES
CCOC(=O)C1=C(NN=C1)NC=O
InChI
InChI=1S/C7H9N3O3/c1-2-13-7(12)5-3-9-10-6(5)8-4-11/h3-4H,2H2,1H3,(H2,8,9,10,11)
InChIKey
VAEIHNPPOAVFAR-UHFFFAOYSA-N
Compound name
ethyl 5-formamido-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06439 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07167 136.7
[M+Na]+ 206.05361 144.6
[M-H]- 182.05711 136.6
[M+NH4]+ 201.09821 154.6
[M+K]+ 222.02755 143.1
[M+H-H2O]+ 166.06165 129.4
[M+HCOO]- 228.06259 159.6
[M+CH3COO]- 242.07824 178.7
[M+Na-2H]- 204.03906 141.6
[M]+ 183.06384 137.4
[M]- 183.06494 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe