CID 9899751

3e,7z-tetradecadienyl acetate

Structural Information

Molecular Formula
C16H28O2
SMILES
CCCCCC/C=C\CC/C=C/CCOC(=O)C
InChI
InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h8-9,12-13H,3-7,10-11,14-15H2,1-2H3/b9-8-,13-12+
InChIKey
UZSWXWOYJAYMAH-YILALFFRSA-N
Compound name
[(3E,7Z)-tetradeca-3,7-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

252.20892 Da
Monoisotopic Mass

5.3
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