CID 165996482

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

Structural Information

Molecular Formula
C8H11N3O
SMILES
CC1=C2CCNC(=O)C2=NN1C
InChI
InChI=1S/C8H11N3O/c1-5-6-3-4-9-8(12)7(6)10-11(5)2/h3-4H2,1-2H3,(H,9,12)
InChIKey
SGYFCYKJCUTESI-UHFFFAOYSA-N
Compound name
2,3-dimethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 135.9
[M+Na]+ 188.07943 145.8
[M-H]- 164.08293 135.4
[M+NH4]+ 183.12403 155.2
[M+K]+ 204.05337 142.6
[M+H-H2O]+ 148.08747 128.9
[M+HCOO]- 210.08841 153.5
[M+CH3COO]- 224.10406 176.6
[M+Na-2H]- 186.06488 140.3
[M]+ 165.08966 133.7
[M]- 165.09076 133.7
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.