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]+ 168.11315 137.9
[M+Na]+ 190.09509 146.4
[M-H]- 166.09859 135.7
[M+NH4]+ 185.13969 158.1
[M+K]+ 206.06903 142.8
[M+H-H2O]+ 150.10313 131.5
[M+HCOO]- 212.10407 152.6
[M+CH3COO]- 226.11972 149.4
[M+Na-2H]- 188.08054 142.6
[M]+ 167.10532 132.4
[M]- 167.10642 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.