CID 44148878

10-ethoxy-1,5,10-trimethylcyclododecadiene

Structural Information

Molecular Formula
C17H30O
SMILES
CCOC1(CCCCC(/C=C\C=C(/CC1)\C)C)C
InChI
InChI=1S/C17H30O/c1-5-18-17(4)13-7-6-9-15(2)10-8-11-16(3)12-14-17/h8,10-11,15H,5-7,9,12-14H2,1-4H3/b10-8-,16-11-
InChIKey
IRLFTWWAUJGKFF-IYUHHCAHSA-N
Compound name
(1Z,3Z)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.22966 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.236936 160.5
[M+Na]+ 273.218878 165.3
[M-H]- 249.222384 161.5
[M+NH4]+ 268.263483 177.4
[M+K]+ 289.192818 163.9
[M+H-H2O]+ 233.226920 158.1
[M+HCOO]- 295.227861 178.6
[M+CH3COO]- 309.243511 191.7
[M+Na-2H]- 271.204326 161.9
[M]+ 250.22911142 156.1
[M]- 250.23020858 156.1
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.