CID 83846016

7,7-dimethyl-2h,3h,3ah,4h,5h,6h,7h-pyrazolo[3,4-c]pyridin-3-one dihydrochloride

Structural Information

Molecular Formula
C8H13N3O
SMILES
CC1(C2=NNC(=O)C2CCN1)C
InChI
InChI=1S/C8H13N3O/c1-8(2)6-5(3-4-9-8)7(12)11-10-6/h5,9H,3-4H2,1-2H3,(H,11,12)
InChIKey
QBSZYNLEJXKKCN-UHFFFAOYSA-N
Compound name
7,7-dimethyl-3a,4,5,6-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 137.9
[M+Na]+ 190.095088 146.4
[M-H]- 166.098594 135.7
[M+NH4]+ 185.139693 158.1
[M+K]+ 206.069028 142.8
[M+H-H2O]+ 150.103130 131.5
[M+HCOO]- 212.104071 152.6
[M+CH3COO]- 226.119721 149.4
[M+Na-2H]- 188.080536 142.6
[M]+ 167.10532142 132.4
[M]- 167.10641858 132.4
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

No patent data available for this compound.