CID 6434940

Decanoic acid, (2,4-hexadienyl) ester

Structural Information

Molecular Formula
C16H28O2
SMILES
CCCCCCCCCC(=O)OCC/C=C/C=C
InChI
InChI=1S/C16H28O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h4,6,8H,2-3,5,7,9-15H2,1H3/b8-6+
InChIKey
LCEYJVFCEZMRBR-SOFGYWHQSA-N
Compound name
[(3E)-hexa-3,5-dienyl] decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.20892 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.216196 166.8
[M+Na]+ 275.198138 170.7
[M-H]- 251.201644 165.5
[M+NH4]+ 270.242743 184.1
[M+K]+ 291.172078 167.4
[M+H-H2O]+ 235.206180 160.7
[M+HCOO]- 297.207121 187.4
[M+CH3COO]- 311.222771 198.1
[M+Na-2H]- 273.183586 167.4
[M]+ 252.20837142 171.9
[M]- 252.20946858 171.9
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.