CID 12847993

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

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CCOC(=O)C1=CC(=O)NN1
InChI
InChI=1S/C6H8N2O3/c1-2-11-6(10)4-3-5(9)8-7-4/h3H,2H2,1H3,(H2,7,8,9)
InChIKey
FGCPAXRNQIOISG-UHFFFAOYSA-N
Compound name
ethyl 5-oxo-1,2-dihydropyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

156.0535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.060776 129.8
[M+Na]+ 179.042718 138.6
[M-H]- 155.046224 128.5
[M+NH4]+ 174.087323 148.5
[M+K]+ 195.016658 136.5
[M+H-H2O]+ 139.050760 123.5
[M+HCOO]- 201.051701 150.5
[M+CH3COO]- 215.067351 168.3
[M+Na-2H]- 177.028166 134.2
[M]+ 156.05295142 129.1
[M]- 156.05404858 129.1
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