CID 163360155

1,5,9-cyclododecatriene, 1,4,9-trimethyl-

Structural Information

Molecular Formula
C15H24
SMILES
CC1C/C=C(/CC/C=C(/CCC=C1)\C)\C
InChI
InChI=1S/C15H24/c1-13-7-4-5-8-14(2)11-12-15(3)10-6-9-13/h5,8-9,12,14H,4,6-7,10-11H2,1-3H3/b8-5?,13-9+,15-12+
InChIKey
FSQBKMBKJVYZHP-TXSUIKNTSA-N
Compound name
(1E,9E)-1,4,9-trimethylcyclododeca-1,5,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

4.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.