CID 107023

Einecs 268-014-1

Structural Information

Molecular Formula
C28H42O2
SMILES
CC(=CCCC(C)(C=C)OC(CC1=CC=CC=C1)OC(C)(CCC=C(C)C)C=C)C
InChI
InChI=1S/C28H42O2/c1-9-27(7,20-14-16-23(3)4)29-26(22-25-18-12-11-13-19-25)30-28(8,10-2)21-15-17-24(5)6/h9-13,16-19,26H,1-2,14-15,20-22H2,3-8H3
InChIKey
SWVPEZYERZIFRI-UHFFFAOYSA-N
Compound name
2,2-bis(3,7-dimethylocta-1,6-dien-3-yloxy)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.31848 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.32576 209.1
[M+Na]+ 433.30770 209.9
[M-H]- 409.31120 210.1
[M+NH4]+ 428.35230 219.6
[M+K]+ 449.28164 204.5
[M+H-H2O]+ 393.31574 201.7
[M+HCOO]- 455.31668 222.5
[M+CH3COO]- 469.33233 230.5
[M+Na-2H]- 431.29315 205.7
[M]+ 410.31793 213.1
[M]- 410.31903 213.1
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.