CID 21914353

5-bromo-2-(cyclopentyloxy)pyridine

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

C1CCC(C1)OC2=NC=C(C=C2)Br

InChI

InChI=1S/C10H12BrNO/c11-8-5-6-10(12-7-8)13-9-3-1-2-4-9/h5-7,9H,1-4H2

InChIKey

ZCTNUTZJUDVPOD-UHFFFAOYSA-N

Compound name

5-bromo-2-cyclopentyloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 241.01022 Da
Monoisotopic Mass: 3.1
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]+	242.017496	147.1
[M+Na]+	263.999438	157.4
[M-H]-	240.002944	154.7
[M+NH4]+	259.044043	168.5
[M+K]+	279.973378	147.2
[M+H-H2O]+	224.007480	146.5
[M+HCOO]-	286.008421	167.3
[M+CH3COO]-	300.024071	186.7
[M+Na-2H]-	261.984886	152.9
[M]+	241.00967142	163.8
[M]-	241.01076858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe