CID 6437401

(7z,9e)-dodecadienyl acetate

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

CC/C=C/C=C\CCCCCCOC(=O)C

InChI

InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-7H,3,8-13H2,1-2H3/b5-4+,7-6-

InChIKey

LLRZUAWETKPZJO-DEQVHDEQSA-N

Compound name

[(7Z,9E)-dodeca-7,9-dienyl] acetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 3275
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