CID 81572

[2,2-bis[(3,7-dimethyl-2,6-octadienyl)oxy]ethyl]benzene

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
3
Annotation Hits

0
References

75
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 213.4
[M+Na]+ 433.30770 212.9
[M-H]- 409.31120 213.9
[M+NH4]+ 428.35230 223.6
[M+K]+ 449.28164 207.4
[M+H-H2O]+ 393.31574 204.9
[M+HCOO]- 455.31668 227.8
[M+CH3COO]- 469.33233 230.1
[M+Na-2H]- 431.29315 205.3
[M]+ 410.31793 216.8
[M]- 410.31903 216.8
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