CID 7131393

872103-27-0

Structural Information

Molecular Formula

C₉H₁₂N₄

SMILES

CC(C)N1C2=NC=C(C=C2C=N1)N

InChI

InChI=1S/C9H12N4/c1-6(2)13-9-7(4-12-13)3-8(10)5-11-9/h3-6H,10H2,1-2H3

InChIKey

PMEOZFOGPJEHHE-UHFFFAOYSA-N

Compound name

1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 176.1062 Da
Monoisotopic Mass: 0.9
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]+	177.11348	136.1
[M+Na]+	199.09542	149.1
[M+NH4]+	194.14002	144.1
[M+K]+	215.06936	145.3
[M-H]-	175.09892	137.4
[M+Na-2H]-	197.08087	142.5
[M]+	176.10565	138.2
[M]-	176.10675	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe