CID 4321844

Ethyl 5-amino-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CCOC(=O)C1=CC(=NN1)N
InChI
InChI=1S/C6H9N3O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H3,7,8,9)
InChIKey
CPQKGGOPHDHAMN-UHFFFAOYSA-N
Compound name
ethyl 3-amino-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

332
Patents

155.06947 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 131.1
[M+Na]+ 178.05869 139.3
[M-H]- 154.06219 130.7
[M+NH4]+ 173.10329 150.1
[M+K]+ 194.03263 137.8
[M+H-H2O]+ 138.06673 124.2
[M+HCOO]- 200.06767 153.4
[M+CH3COO]- 214.08332 173.8
[M+Na-2H]- 176.04414 135.4
[M]+ 155.06892 129.8
[M]- 155.07002 129.8
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