CID 6437283

4,8-cyclododecadienol, acetate

Structural Information

Molecular Formula
C14H22O2
SMILES
CC(=O)OC1CCC/C=C/CC/C=C\CC1
InChI
InChI=1S/C14H22O2/c1-13(15)16-14-11-9-7-5-3-2-4-6-8-10-12-14/h3,5-6,8,14H,2,4,7,9-12H2,1H3/b5-3+,8-6-
InChIKey
SNNVDGLEOWNXND-GMWFMGJWSA-N
Compound name
[(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

222.16199 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 151.3
[M+Na]+ 245.15121 161.6
[M+NH4]+ 240.19581 158.7
[M+K]+ 261.12515 154.8
[M-H]- 221.15471 153.8
[M+Na-2H]- 243.13666 157.4
[M]+ 222.16144 153.0
[M]- 222.16254 153.0
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.