CID 230045

28491-67-0

Structural Information

Molecular Formula
C8H9N3O
SMILES
CC1=CC(=NC2=C1C(=O)NN2)C
InChI
InChI=1S/C8H9N3O/c1-4-3-5(2)9-7-6(4)8(12)11-10-7/h3H,1-2H3,(H2,9,10,11,12)
InChIKey
CMSUKWHWNLICEI-UHFFFAOYSA-N
Compound name
4,6-dimethyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

163.07455 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 132.1
[M+Na]+ 186.063768 144.8
[M-H]- 162.067274 131.5
[M+NH4]+ 181.108373 151.2
[M+K]+ 202.037708 139.9
[M+H-H2O]+ 146.071810 125.7
[M+HCOO]- 208.072751 152.6
[M+CH3COO]- 222.088401 145.8
[M+Na-2H]- 184.049216 139.1
[M]+ 163.07400142 132.5
[M]- 163.07509858 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe