CID 239538

Ethyl 4-hydroxy-1-phenyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CCOC(=O)C1=NN(C=C1O)C2=CC=CC=C2
InChI
InChI=1S/C12H12N2O3/c1-2-17-12(16)11-10(15)8-14(13-11)9-6-4-3-5-7-9/h3-8,15H,2H2,1H3
InChIKey
DSLMUSVXQPOEGD-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-1-phenylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

232.0848 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 149.8
[M+Na]+ 255.074018 158.5
[M-H]- 231.077524 153.2
[M+NH4]+ 250.118623 166.1
[M+K]+ 271.047958 155.7
[M+H-H2O]+ 215.082060 141.9
[M+HCOO]- 277.083001 171.4
[M+CH3COO]- 291.098651 186.5
[M+Na-2H]- 253.059466 153.4
[M]+ 232.08425142 151.8
[M]- 232.08534858 151.8
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