CID 28819390

1,6-dimethyl-3-oxo-1h,2h,3h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C9H9N3O3
SMILES
CC1=CC(=C2C(=O)NN(C2=N1)C)C(=O)O
InChI
InChI=1S/C9H9N3O3/c1-4-3-5(9(14)15)6-7(10-4)12(2)11-8(6)13/h3H,1-2H3,(H,11,13)(H,14,15)
InChIKey
ARCOWMGMOVAFKR-UHFFFAOYSA-N
Compound name
1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.06439 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07167 141.5
[M+Na]+ 230.05361 154.2
[M-H]- 206.05711 141.3
[M+NH4]+ 225.09821 158.7
[M+K]+ 246.02755 150.2
[M+H-H2O]+ 190.06165 135.0
[M+HCOO]- 252.06259 161.1
[M+CH3COO]- 266.07824 182.0
[M+Na-2H]- 228.03906 146.2
[M]+ 207.06384 144.1
[M]- 207.06494 144.1
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.