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

15
Patents

298.19327 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.200546 173.9
[M+Na]+ 321.182488 179.6
[M-H]- 297.185994 179.8
[M+NH4]+ 316.227093 189.2
[M+K]+ 337.156428 175.5
[M+H-H2O]+ 281.190530 165.3
[M+HCOO]- 343.191471 196.6
[M+CH3COO]- 357.207121 206.3
[M+Na-2H]- 319.167936 177.2
[M]+ 298.19272142 178.6
[M]- 298.19381858 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe