CID 5365698

6,9-heptadecadiene

Structural Information

Molecular Formula

C₁₇H₃₂

SMILES

CCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h11,13,16-17H,3-10,12,14-15H2,1-2H3/b13-11+,17-16+

InChIKey

AGMLTHHZJKHNLS-OJWGMWDRSA-N

Compound name

(6E,9E)-heptadeca-6,9-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 759
Patents: 236.2504 Da
Monoisotopic Mass: 7.8
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]+	237.25768	165.8
[M+Na]+	259.23962	169.3
[M-H]-	235.24312	164.3
[M+NH4]+	254.28422	184.1
[M+K]+	275.21356	165.1
[M+H-H2O]+	219.24766	159.8
[M+HCOO]-	281.24860	186.5
[M+CH3COO]-	295.26425	197.6
[M+Na-2H]-	257.22507	167.2
[M]+	236.24985	169.8
[M]-	236.25095	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe