CID 118993838

1951440-04-2

Structural Information

Molecular Formula
C32H50O2
SMILES
CCCCCCCOC1=CC=C(C=C1)C(C)(CC(C)C)C2=CC=C(C=C2)OCCCCCCC
InChI
InChI=1S/C32H50O2/c1-6-8-10-12-14-24-33-30-20-16-28(17-21-30)32(5,26-27(3)4)29-18-22-31(23-19-29)34-25-15-13-11-9-7-2/h16-23,27H,6-15,24-26H2,1-5H3
InChIKey
TWRZHSJGYYAWSD-UHFFFAOYSA-N
Compound name
1-heptoxy-4-[2-(4-heptoxyphenyl)-4-methylpentan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.38107 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.38835 227.8
[M+Na]+ 489.37029 239.1
[M+NH4]+ 484.41489 233.9
[M+K]+ 505.34423 228.6
[M-H]- 465.37379 231.5
[M+Na-2H]- 487.35574 233.0
[M]+ 466.38052 230.7
[M]- 466.38162 230.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.