CID 1512233

Ethyl 5-amino-3-oxo-2,3-dihydro-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C6H9N3O3
SMILES
CCOC(=O)C1=C(NNC1=O)N
InChI
InChI=1S/C6H9N3O3/c1-2-12-6(11)3-4(7)8-9-5(3)10/h2H2,1H3,(H4,7,8,9,10)
InChIKey
LGEKCYNMEUUUTQ-UHFFFAOYSA-N
Compound name
ethyl 3-amino-5-oxo-1,2-dihydropyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

171.06439 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07167 134.7
[M+Na]+ 194.05361 143.0
[M+NH4]+ 189.09821 139.5
[M+K]+ 210.02755 142.4
[M-H]- 170.05711 132.3
[M+Na-2H]- 192.03906 136.8
[M]+ 171.06384 134.5
[M]- 171.06494 134.5
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