CID 131751279

15-octadecene-9,11,13-triynoic acid

Structural Information

Molecular Formula
C18H22O2
SMILES
CC/C=C\C#CC#CC#CCCCCCCCC(=O)O
InChI
InChI=1S/C18H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4H,2,11-17H2,1H3,(H,19,20)/b4-3-
InChIKey
PNPJTOHNBYQMEA-ARJAWSKDSA-N
Compound name
(Z)-octadec-15-en-9,11,13-triynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.162 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 198.1
[M+Na]+ 293.15122 202.1
[M+NH4]+ 288.19582 195.8
[M+K]+ 309.12516 192.9
[M-H]- 269.15472 187.0
[M+Na-2H]- 291.13667 192.7
[M]+ 270.16145 194.4
[M]- 270.16255 194.4
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.