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
2
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]+ 411.325756 209.1
[M+Na]+ 433.307698 209.9
[M-H]- 409.311204 210.1
[M+NH4]+ 428.352303 219.6
[M+K]+ 449.281638 204.5
[M+H-H2O]+ 393.315740 201.7
[M+HCOO]- 455.316681 222.5
[M+CH3COO]- 469.332331 230.5
[M+Na-2H]- 431.293146 205.7
[M]+ 410.31793142 213.1
[M]- 410.31902858 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.