CID 229242

1,6-bis(4-methoxyphenyl)hexane

Structural Information

Molecular Formula

C₂₀H₂₆O₂

SMILES

COC1=CC=C(C=C1)CCCCCCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H26O2/c1-21-19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(22-2)16-12-18/h9-16H,3-8H2,1-2H3

InChIKey

ALPOVNVKRRSATH-UHFFFAOYSA-N

Compound name

1-methoxy-4-[6-(4-methoxyphenyl)hexyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 298.19327 Da
Monoisotopic Mass: 6.2
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]+	299.20055	174.2
[M+Na]+	321.18249	188.8
[M+NH4]+	316.22709	182.8
[M+K]+	337.15643	179.0
[M-H]-	297.18599	179.3
[M+Na-2H]-	319.16794	183.1
[M]+	298.19272	177.9
[M]-	298.19382	177.9

Literature stripe

literature stripe

Patent stripe

patents stripe