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]+ 253.21620 166.8
[M+Na]+ 275.19814 170.7
[M-H]- 251.20164 165.5
[M+NH4]+ 270.24274 184.1
[M+K]+ 291.17208 167.4
[M+H-H2O]+ 235.20618 160.7
[M+HCOO]- 297.20712 187.4
[M+CH3COO]- 311.22277 198.1
[M+Na-2H]- 273.18359 167.4
[M]+ 252.20837 171.9
[M]- 252.20947 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.