CID 10729517

8e,10z-tetradecadienyl acetate

Structural Information

Molecular Formula
C16H28O2
SMILES
CCC/C=C\C=C\CCCCCCCOC(=O)C
InChI
InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h5-8H,3-4,9-15H2,1-2H3/b6-5-,8-7+
InChIKey
UOGXIKWNCIJUKX-IGTJQSIKSA-N
Compound name
[(8E,10Z)-tetradeca-8,10-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

252.20892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.216196 167.0
[M+Na]+ 275.198138 171.0
[M-H]- 251.201644 165.7
[M+NH4]+ 270.242743 184.4
[M+K]+ 291.172078 167.8
[M+H-H2O]+ 235.206180 160.9
[M+HCOO]- 297.207121 187.7
[M+CH3COO]- 311.222771 197.5
[M+Na-2H]- 273.183586 167.6
[M]+ 252.20837142 172.1
[M]- 252.20946858 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe