CID 5287678

(6e)-6-[(2e,4e,6e)-3,7-dimethylnona-2,4,6,8-tetraenylidene]-1,5,5-trimethylcyclohexene

Structural Information

Molecular Formula
C20H28
SMILES
CC\1=CCCC(/C1=C\C=C(/C)\C=C\C=C(/C)\C=C)(C)C
InChI
InChI=1S/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-14H,1,9,15H2,2-6H3/b11-8+,16-10+,17-13+,19-14-
InChIKey
FWNRILWHNGFAIN-OYUWDNMLSA-N
Compound name
(6E)-6-[(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraenylidene]-1,5,5-trimethylcyclohexene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

164
Patents

268.2191 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.22638 166.4
[M+Na]+ 291.20832 171.3
[M-H]- 267.21182 168.9
[M+NH4]+ 286.25292 185.4
[M+K]+ 307.18226 165.5
[M+H-H2O]+ 251.21636 161.4
[M+HCOO]- 313.21730 183.6
[M+CH3COO]- 327.23295 201.9
[M+Na-2H]- 289.19377 164.6
[M]+ 268.21855 163.5
[M]- 268.21965 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe