CID 67501297

1256836-77-7

Structural Information

Molecular Formula

C₉H₁₀BrN₃

SMILES

CC(C)C1=C2C(=CN=CC2=NN1)Br

InChI

InChI=1S/C9H10BrN3/c1-5(2)9-8-6(10)3-11-4-7(8)12-13-9/h3-5H,1-2H3,(H,12,13)

InChIKey

FPLWCRFDYZQUJC-UHFFFAOYSA-N

Compound name

4-bromo-3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 239.00581 Da
Monoisotopic Mass: 2.3
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]+	240.01309	147.2
[M+Na]+	261.99503	151.3
[M+NH4]+	257.03963	151.6
[M+K]+	277.96897	152.7
[M-H]-	237.99853	146.3
[M+Na-2H]-	259.98048	149.9
[M]+	239.00526	146.3
[M]-	239.00636	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe