CID 78265149

Ethyl 2h,4h,5h,7h-pyrano[3,4-c]pyrazole-3-carboxylate

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CCOC(=O)C1=NNC2=C1CCOC2
InChI
InChI=1S/C9H12N2O3/c1-2-14-9(12)8-6-3-4-13-5-7(6)10-11-8/h2-5H2,1H3,(H,10,11)
InChIKey
HIOXBJUAJSRZGE-UHFFFAOYSA-N
Compound name
ethyl 1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

196.0848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.092076 141.2
[M+Na]+ 219.074018 148.4
[M-H]- 195.077524 142.0
[M+NH4]+ 214.118623 158.6
[M+K]+ 235.047958 147.6
[M+H-H2O]+ 179.082060 134.4
[M+HCOO]- 241.083001 158.3
[M+CH3COO]- 255.098651 178.8
[M+Na-2H]- 217.059466 146.3
[M]+ 196.08425142 140.8
[M]- 196.08534858 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe