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]+ 251.23694 160.5
[M+Na]+ 273.21888 165.3
[M-H]- 249.22238 161.5
[M+NH4]+ 268.26348 177.4
[M+K]+ 289.19282 163.9
[M+H-H2O]+ 233.22692 158.1
[M+HCOO]- 295.22786 178.6
[M+CH3COO]- 309.24351 191.7
[M+Na-2H]- 271.20433 161.9
[M]+ 250.22911 156.1
[M]- 250.23021 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.