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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.040376	132.9
[M+Na]+	202.022318	144.2
[M-H]-	178.025824	130.8
[M+NH4]+	197.066923	149.9
[M+K]+	217.996258	139.8
[M+H-H2O]+	162.030360	126.4
[M+HCOO]-	224.031301	151.7
[M+CH3COO]-	238.046951	171.1
[M+Na-2H]-	200.007766	139.6
[M]+	179.03255142	132.1
[M]-	179.03364858	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.