CID 131752558

Ethyl (z,z)-5,8-tetradecadienoate

Structural Information

Molecular Formula
C16H28O2
SMILES
CCCCC/C=C\C/C=C/CCCC(=O)OCC
InChI
InChI=1S/C16H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h8-9,11-12H,3-7,10,13-15H2,1-2H3/b9-8-,12-11+
InChIKey
UHRNCGFBWFZBLC-UONSLQGUSA-N
Compound name
ethyl (5E,8Z)-tetradeca-5,8-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.20892 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21620 166.7
[M+Na]+ 275.19814 175.2
[M+NH4]+ 270.24274 172.4
[M+K]+ 291.17208 167.4
[M-H]- 251.20164 165.0
[M+Na-2H]- 273.18359 167.6
[M]+ 252.20837 167.1
[M]- 252.20947 167.1
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

No patent data available for this compound.