CID 136651683

1380447-77-7

Structural Information

Molecular Formula
C8H9N3O2
SMILES
CC1=NN(C2=C1C(=CC(=O)N2)O)C
InChI
InChI=1S/C8H9N3O2/c1-4-7-5(12)3-6(13)9-8(7)11(2)10-4/h3H,1-2H3,(H2,9,12,13)
InChIKey
PRGBOEWVCGDIKT-UHFFFAOYSA-N
Compound name
4-hydroxy-1,3-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.06947 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07675 135.2
[M+Na]+ 202.05869 148.6
[M-H]- 178.06219 135.0
[M+NH4]+ 197.10329 153.9
[M+K]+ 218.03263 144.3
[M+H-H2O]+ 162.06673 128.9
[M+HCOO]- 224.06767 155.8
[M+CH3COO]- 238.08332 176.7
[M+Na-2H]- 200.04414 141.5
[M]+ 179.06892 137.4
[M]- 179.07002 137.4
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