CID 78265149

1630096-71-7

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[3,4-c]pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

196.0848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 141.9
[M+Na]+ 219.07402 152.1
[M+NH4]+ 214.11862 148.8
[M+K]+ 235.04796 149.8
[M-H]- 195.07752 142.3
[M+Na-2H]- 217.05947 144.3
[M]+ 196.08425 143.1
[M]- 196.08535 143.1
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