CID 66520247

1264037-29-7

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

C1COCCC1C2=NC=CC(=C2)Br

InChI

InChI=1S/C10H12BrNO/c11-9-1-4-12-10(7-9)8-2-5-13-6-3-8/h1,4,7-8H,2-3,5-6H2

InChIKey

GMNOLLRJEWMQSS-UHFFFAOYSA-N

Compound name

4-bromo-2-(oxan-4-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 241.01022 Da
Monoisotopic Mass: 2.0
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]+	242.01750	145.6
[M+Na]+	263.99944	154.9
[M-H]-	240.00294	153.4
[M+NH4]+	259.04404	164.0
[M+K]+	279.97338	145.6
[M+H-H2O]+	224.00748	144.8
[M+HCOO]-	286.00842	162.8
[M+CH3COO]-	300.02407	159.6
[M+Na-2H]-	261.98489	153.7
[M]+	241.00967	160.9
[M]-	241.01077	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe