CID 5363496

5e,7z-dodecadienyl acetate

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

CCCC/C=C\C=C\CCCCOC(=O)C

InChI

InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-9H,3-5,10-13H2,1-2H3/b7-6-,9-8+

InChIKey

LILNZTGQAGPWKK-NMMTYZSQSA-N

Compound name

[(5E,7Z)-dodeca-5,7-dienyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 224.17763 Da
Monoisotopic Mass: 4.3
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]+	225.18491	157.8
[M+Na]+	247.16685	162.7
[M-H]-	223.17035	157.0
[M+NH4]+	242.21145	176.4
[M+K]+	263.14079	160.0
[M+H-H2O]+	207.17489	152.2
[M+HCOO]-	269.17583	179.2
[M+CH3COO]-	283.19148	191.4
[M+Na-2H]-	245.15230	159.5
[M]+	224.17708	162.2
[M]-	224.17818	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe