CID 29919811

949160-14-9

Structural Information

Molecular Formula

C₉H₁₂BrNO

SMILES

CC(C)(C)OC1=NC(=CC=C1)Br

InChI

InChI=1S/C9H12BrNO/c1-9(2,3)12-8-6-4-5-7(10)11-8/h4-6H,1-3H3

InChIKey

ZQRVWDAISRXUPX-UHFFFAOYSA-N

Compound name

2-bromo-6-[(2-methylpropan-2-yl)oxy]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 229.01022 Da
Monoisotopic Mass: 3.2
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]+	230.01750	142.1
[M+Na]+	251.99944	145.9
[M+NH4]+	247.04404	146.9
[M+K]+	267.97338	146.0
[M-H]-	228.00294	142.1
[M+Na-2H]-	249.98489	146.2
[M]+	229.00967	141.6
[M]-	229.01077	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe