CID 93907

Trideca-4,7-dienyl acetate

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

CCCCCC=CCC=CCCCOC(=O)C

InChI

InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3

InChIKey

LELQZCNRZHLYFG-UHFFFAOYSA-N

Compound name

trideca-4,7-dienyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 238.19328 Da
Monoisotopic Mass: 4.8
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]+	239.20056	162.4
[M+Na]+	261.18250	171.0
[M+NH4]+	256.22710	168.2
[M+K]+	277.15644	163.5
[M-H]-	237.18600	160.7
[M+Na-2H]-	259.16795	163.5
[M]+	238.19273	162.8
[M]-	238.19383	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe