CID 66580427

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

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1COCC2=C1C=NN2
InChI
InChI=1S/C6H8N2O/c1-2-9-4-6-5(1)3-7-8-6/h3H,1-2,4H2,(H,7,8)
InChIKey
LHNAZHNZJIZRCV-UHFFFAOYSA-N
Compound name
1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

124.06366 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 122.9
[M+Na]+ 147.05288 134.5
[M+NH4]+ 142.09748 131.8
[M+K]+ 163.02682 130.9
[M-H]- 123.05638 124.8
[M+Na-2H]- 145.03833 127.7
[M]+ 124.06311 124.9
[M]- 124.06421 124.9
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