CID 53621877

3-bromo-2-cyclobutoxypyridine

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

C1CC(C1)OC2=C(C=CC=N2)Br

InChI

InChI=1S/C9H10BrNO/c10-8-5-2-6-11-9(8)12-7-3-1-4-7/h2,5-7H,1,3-4H2

InChIKey

FFKOZSRDMOJHEG-UHFFFAOYSA-N

Compound name

3-bromo-2-cyclobutyloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 226.99458 Da
Monoisotopic Mass: 2.8
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]+	228.001856	129.2
[M+Na]+	249.983798	139.3
[M-H]-	225.987304	136.9
[M+NH4]+	245.028403	143.8
[M+K]+	265.957738	132.3
[M+H-H2O]+	209.991840	124.2
[M+HCOO]-	271.992781	149.0
[M+CH3COO]-	286.008431	188.8
[M+Na-2H]-	247.969246	138.3
[M]+	226.99403142	155.0
[M]-	226.99512858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe