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[4,3-d]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

124.06366 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 121.7
[M+Na]+ 147.052878 129.4
[M-H]- 123.056384 122.4
[M+NH4]+ 142.097483 141.9
[M+K]+ 163.026818 128.5
[M+H-H2O]+ 107.060920 115.2
[M+HCOO]- 169.061861 140.2
[M+CH3COO]- 183.077511 135.0
[M+Na-2H]- 145.038326 130.3
[M]+ 124.06311142 118.4
[M]- 124.06420858 118.4
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