CID 81572

67634-02-0

Structural Information

Molecular Formula
C28H42O2
SMILES
CC(=CCCC(=CCOC(CC1=CC=CC=C1)OCC=C(C)CCC=C(C)C)C)C
InChI
InChI=1S/C28H42O2/c1-23(2)12-10-14-25(5)18-20-29-28(22-27-16-8-7-9-17-27)30-21-19-26(6)15-11-13-24(3)4/h7-9,12-13,16-19,28H,10-11,14-15,20-22H2,1-6H3
InChIKey
KJTMVMCIPAJMOH-UHFFFAOYSA-N
Compound name
2,2-bis(3,7-dimethylocta-2,6-dienoxy)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

410.31848 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.32576 211.0
[M+Na]+ 433.30770 218.6
[M+NH4]+ 428.35230 215.1
[M+K]+ 449.28164 210.8
[M-H]- 409.31120 210.5
[M+Na-2H]- 431.29315 211.7
[M]+ 410.31793 211.5
[M]- 410.31903 211.5
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

patents stripe