CID 5365777

1,5,9-trimethyl-1,5,9-cyclododecatriene

Structural Information

Molecular Formula
C15H24
SMILES
C/C/1=C/CC/C(=C\CC/C(=C\CC1)/C)/C
InChI
InChI=1S/C15H24/c1-13-7-4-9-14(2)11-6-12-15(3)10-5-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3/b13-7-,14-11-,15-10-
InChIKey
XOTMHDVYZZBKEJ-PEFAHGPYSA-N
Compound name
(1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

138
Patents

204.1878 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 146.1
[M+Na]+ 227.17702 151.9
[M-H]- 203.18052 147.5
[M+NH4]+ 222.22162 163.0
[M+K]+ 243.15096 150.0
[M+H-H2O]+ 187.18506 143.6
[M+HCOO]- 249.18600 166.2
[M+CH3COO]- 263.20165 183.9
[M+Na-2H]- 225.16247 148.6
[M]+ 204.18725 140.7
[M]- 204.18835 140.7
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