CID 5363376

2e,7-octadienyl acetate

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC(=O)OC/C=C/CCCC=C

InChI

InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3,7-8H,1,4-6,9H2,2H3/b8-7+

InChIKey

RDOHPVPONNHSPH-BQYQJAHWSA-N

Compound name

[(2E)-octa-2,7-dienyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 168.11504 Da
Monoisotopic Mass: 2.5
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]+	169.12232	140.3
[M+Na]+	191.10426	150.0
[M+NH4]+	186.14886	147.0
[M+K]+	207.07820	143.6
[M-H]-	167.10776	138.8
[M+Na-2H]-	189.08971	142.8
[M]+	168.11449	140.9
[M]-	168.11559	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe