CID 12543730

1,6-pentadecadiene

Structural Information

Molecular Formula

C₁₅H₂₈

SMILES

CCCCCCCC/C=C/CCCC=C

InChI

InChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,11,13H,1,4-10,12,14-15H2,2H3/b13-11+

InChIKey

LXDHBLGZGMUAHY-ACCUITESSA-N

Compound name

(6E)-pentadeca-1,6-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.2191 Da
Monoisotopic Mass: 7.5
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]+	209.22638	156.6
[M+Na]+	231.20832	160.8
[M-H]-	207.21182	155.4
[M+NH4]+	226.25292	175.8
[M+K]+	247.18226	157.1
[M+H-H2O]+	191.21636	151.0
[M+HCOO]-	253.21730	177.9
[M+CH3COO]-	267.23295	192.3
[M+Na-2H]-	229.19377	159.0
[M]+	208.21855	159.9
[M]-	208.21965	159.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.