CID 109168

68140-52-3

Structural Information

Molecular Formula
C26H36O2
SMILES
CC(CCC=C(C)C)CC(OCCC1=CC=CC=C1)OCCC2=CC=CC=C2
InChI
InChI=1S/C26H36O2/c1-22(2)11-10-12-23(3)21-26(27-19-17-24-13-6-4-7-14-24)28-20-18-25-15-8-5-9-16-25/h4-9,11,13-16,23,26H,10,12,17-21H2,1-3H3
InChIKey
BDZYZYHOKNHVQI-UHFFFAOYSA-N
Compound name
2-[3,7-dimethyl-1-(2-phenylethoxy)oct-6-enoxy]ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.27155 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.27883 202.0
[M+Na]+ 403.26077 202.7
[M-H]- 379.26427 206.1
[M+NH4]+ 398.30537 212.9
[M+K]+ 419.23471 197.9
[M+H-H2O]+ 363.26881 192.2
[M+HCOO]- 425.26975 219.7
[M+CH3COO]- 439.28540 222.6
[M+Na-2H]- 401.24622 199.6
[M]+ 380.27100 205.3
[M]- 380.27210 205.3
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.