CID 53782216

1256824-48-2

Structural Information

Molecular Formula

C₉H₉N₃O₂

SMILES

CCOC(=O)C1=CN=C2C(=C1)C=NN2

InChI

InChI=1S/C9H9N3O2/c1-2-14-9(13)7-3-6-5-11-12-8(6)10-4-7/h3-5H,2H2,1H3,(H,10,11,12)

InChIKey

DWBSMBXTDIFAGZ-UHFFFAOYSA-N

Compound name

ethyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 191.06947 Da
Monoisotopic Mass: 1.0
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]+	192.07675	139.0
[M+Na]+	214.05869	151.7
[M+NH4]+	209.10329	145.9
[M+K]+	230.03263	148.3
[M-H]-	190.06219	138.3
[M+Na-2H]-	212.04414	144.6
[M]+	191.06892	140.4
[M]-	191.07002	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe