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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17943 175.1
[M+Na]+ 249.16137 182.8
[M+NH4]+ 244.20597 175.0
[M+K]+ 265.13531 170.7
[M-H]- 225.16487 162.9
[M+Na-2H]- 247.14682 171.8
[M]+ 226.17160 171.4
[M]- 226.17270 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.