CID 137323837

Pentadeca-1z,7z,13z-trien-9,11-diyne

Structural Information

Molecular Formula
C15H18
SMILES
C/C=C/C#CC#C/C=C\CCCCC=C
InChI
InChI=1S/C15H18/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-4,6,13,15H,1,5,7,9,11H2,2H3/b6-4+,15-13-
InChIKey
XOARYMGRKLMBDE-VPHYMXCRSA-N
Compound name
(7Z,13E)-pentadeca-1,7,13-trien-9,11-diyne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.14085 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14813 156.4
[M+Na]+ 221.13007 165.4
[M-H]- 197.13357 157.0
[M+NH4]+ 216.17467 169.5
[M+K]+ 237.10401 159.8
[M+H-H2O]+ 181.13811 143.1
[M+HCOO]- 243.13905 165.5
[M+CH3COO]- 257.15470 210.9
[M+Na-2H]- 219.11552 156.9
[M]+ 198.14030 149.1
[M]- 198.14140 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.