CID 13245319

3e,5e-tetradecadienyl acetate

Structural Information

Molecular Formula
C16H28O2
SMILES
CCCCCCCC/C=C/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/h10-13H,3-9,14-15H2,1-2H3/b11-10+,13-12+
InChIKey
XXIIMWWMOJXDLK-AQASXUMVSA-N
Compound name
[(3E,5E)-tetradeca-3,5-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

252.20892 Da
Monoisotopic Mass

5.8
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

No literature data available for this compound.

Patent stripe

patents stripe