CID 56828272

1247562-67-9

Structural Information

Molecular Formula
C7H5N3O3
SMILES
C1=C(C=NC2=C1C(=O)NN2)C(=O)O
InChI
InChI=1S/C7H5N3O3/c11-6-4-1-3(7(12)13)2-8-5(4)9-10-6/h1-2H,(H,12,13)(H2,8,9,10,11)
InChIKey
BOOLACNCOOAZCY-UHFFFAOYSA-N
Compound name
3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.0331 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04038 132.9
[M+Na]+ 202.02232 144.2
[M-H]- 178.02582 130.8
[M+NH4]+ 197.06692 149.9
[M+K]+ 217.99626 139.8
[M+H-H2O]+ 162.03036 126.4
[M+HCOO]- 224.03130 151.7
[M+CH3COO]- 238.04695 171.1
[M+Na-2H]- 200.00777 139.6
[M]+ 179.03255 132.1
[M]- 179.03365 132.1
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.