CID 131751122

Chebi:177747

Structural Information

Molecular Formula

C₁₇H₂₂

SMILES

C/C=C\C#CC#CC/C=C/CCCCCC=C

InChI

InChI=1S/C17H22/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,15,17H,1,5,7,9,11,13,16H2,2H3/b6-4-,17-15+

InChIKey

OJWVHJFAQCYGMT-LPMQCFACSA-N

Compound name

(8E,15Z)-heptadeca-1,8,15-trien-11,13-diyne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.17215 Da
Monoisotopic Mass: 6.0
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]+	227.17943	161.6
[M+Na]+	249.16137	170.2
[M-H]-	225.16487	162.1
[M+NH4]+	244.20597	174.1
[M+K]+	265.13531	164.1
[M+H-H2O]+	209.16941	148.1
[M+HCOO]-	271.17035	170.4
[M+CH3COO]-	285.18600	214.7
[M+Na-2H]-	247.14682	161.5
[M]+	226.17160	154.8
[M]-	226.17270	154.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.