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

0
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 150.9
[M+Na]+ 245.15121 154.1
[M-H]- 221.15471 151.3
[M+NH4]+ 240.19581 166.0
[M+K]+ 261.12515 153.6
[M+H-H2O]+ 205.15925 147.8
[M+HCOO]- 267.16019 169.4
[M+CH3COO]- 281.17584 182.3
[M+Na-2H]- 243.13666 152.8
[M]+ 222.16144 144.3
[M]- 222.16254 144.3
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.