CID 1747818

53880-51-6

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

C/C=C/C=C/CCCCCCCOC(=O)C

InChI

InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-6H,7-13H2,1-2H3/b4-3+,6-5+

InChIKey

NTKDSWPSEFZZOZ-VNKDHWASSA-N

Compound name

[(8E,10E)-dodeca-8,10-dienyl] acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 702
Patents: 224.17763 Da
Monoisotopic Mass: 4.4
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	158.0
[M+Na]+	247.16685	166.9
[M+NH4]+	242.21145	164.0
[M+K]+	263.14079	159.6
[M-H]-	223.17035	156.4
[M+Na-2H]-	245.15230	159.4
[M]+	224.17708	158.4
[M]-	224.17818	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe