CID 6436539

1,5,10-trimethylcyclododeca-1,5,9-triene

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

33
Patents

204.1878 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 146.1
[M+Na]+ 227.177018 151.9
[M-H]- 203.180524 147.5
[M+NH4]+ 222.221623 163.0
[M+K]+ 243.150958 150.0
[M+H-H2O]+ 187.185060 143.6
[M+HCOO]- 249.186001 166.2
[M+CH3COO]- 263.201651 183.9
[M+Na-2H]- 225.162466 148.6
[M]+ 204.18725142 140.7
[M]- 204.18834858 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

patents stripe