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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.