CID 135650101

1160246-28-5

Structural Information

Molecular Formula
C9H9N3O3
SMILES
CC1=NN(C2=C1C(=CC(=O)N2)C(=O)O)C
InChI
InChI=1S/C9H9N3O3/c1-4-7-5(9(14)15)3-6(13)10-8(7)12(2)11-4/h3H,1-2H3,(H,10,13)(H,14,15)
InChIKey
AHZKOAJLIGXULD-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

207.06439 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.071666 141.5
[M+Na]+ 230.053608 154.2
[M-H]- 206.057114 141.3
[M+NH4]+ 225.098213 158.7
[M+K]+ 246.027548 150.2
[M+H-H2O]+ 190.061650 135.0
[M+HCOO]- 252.062591 161.1
[M+CH3COO]- 266.078241 182.0
[M+Na-2H]- 228.039056 146.2
[M]+ 207.06384142 144.1
[M]- 207.06493858 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

patents stripe