CID 76848531

5-bromo-2-(piperidin-3-yl)pyridine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂

SMILES

C1CC(CNC1)C2=NC=C(C=C2)Br

InChI

InChI=1S/C10H13BrN2/c11-9-3-4-10(13-7-9)8-2-1-5-12-6-8/h3-4,7-8,12H,1-2,5-6H2

InChIKey

PIGROURKQOAHBJ-UHFFFAOYSA-N

Compound name

5-bromo-2-piperidin-3-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.02621 Da
Monoisotopic Mass: 1.7
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]+	241.033486	146.1
[M+Na]+	263.015428	155.0
[M-H]-	239.018934	150.6
[M+NH4]+	258.060033	163.8
[M+K]+	278.989368	143.1
[M+H-H2O]+	223.023470	144.9
[M+HCOO]-	285.024411	161.4
[M+CH3COO]-	299.040061	158.9
[M+Na-2H]-	261.000876	153.2
[M]+	240.02566142	158.3
[M]-	240.02675858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.