CID 14270937

5,7-pentadecadiene

Structural Information

Molecular Formula

C₁₅H₂₈

SMILES

CCCCCCC/C=C/C=C/CCCC

InChI

InChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h9,11,13,15H,3-8,10,12,14H2,1-2H3/b11-9+,15-13+

InChIKey

WHPGYDMDNJPHBN-PXELCPQFSA-N

Compound name

(5E,7E)-pentadeca-5,7-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 208.2191 Da
Monoisotopic Mass: 7.0
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	156.8
[M+Na]+	231.20832	161.1
[M-H]-	207.21182	155.6
[M+NH4]+	226.25292	176.1
[M+K]+	247.18226	157.4
[M+H-H2O]+	191.21636	151.2
[M+HCOO]-	253.21730	178.1
[M+CH3COO]-	267.23295	191.6
[M+Na-2H]-	229.19377	159.3
[M]+	208.21855	160.0
[M]-	208.21965	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe