CID 10584808

3-bromo-5-isopropoxypyridine

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

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

InChI

InChI=1S/C8H10BrNO/c1-6(2)11-8-3-7(9)4-10-5-8/h3-6H,1-2H3

InChIKey

ASEHPOZWQJRWAD-UHFFFAOYSA-N

Compound name

3-bromo-5-propan-2-yloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 422
Patents: 214.99458 Da
Monoisotopic Mass: 2.3
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]+	216.00186	136.5
[M+Na]+	237.98380	140.4
[M+NH4]+	233.02840	141.6
[M+K]+	253.95774	140.5
[M-H]-	213.98730	136.9
[M+Na-2H]-	235.96925	140.7
[M]+	214.99403	136.0
[M]-	214.99513	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe