CID 106732

(2,2-bis((3,7-dimethyl-6-octenyl)oxy)ethyl)benzene

Structural Information

Molecular Formula
C28H46O2
SMILES
CC(CCC=C(C)C)CCOC(CC1=CC=CC=C1)OCCC(C)CCC=C(C)C
InChI
InChI=1S/C28H46O2/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/h7-9,12-13,16-17,25-26,28H,10-11,14-15,18-22H2,1-6H3
InChIKey
UZCGMNMYZDLKDA-UHFFFAOYSA-N
Compound name
2,2-bis(3,7-dimethyloct-6-enoxy)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

414.3498 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.35708 216.5
[M+Na]+ 437.33902 215.3
[M-H]- 413.34252 216.8
[M+NH4]+ 432.38362 226.5
[M+K]+ 453.31296 210.9
[M+H-H2O]+ 397.34706 207.8
[M+HCOO]- 459.34800 230.5
[M+CH3COO]- 473.36365 233.0
[M+Na-2H]- 435.32447 208.3
[M]+ 414.34925 221.5
[M]- 414.35035 221.5
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