CID 131751554

(e,e)-11,13-octadecadien-9-ynoic acid

Structural Information

Molecular Formula
C18H28O2
SMILES
CCCC/C=C/C=C\C#CCCCCCCCC(=O)O
InChI
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-8H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7-
InChIKey
ONYHYSLZNLJFHX-MDAAKZFYSA-N
Compound name
(11Z,13E)-octadeca-11,13-dien-9-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.20892 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.21620 169.6
[M+Na]+ 299.19814 177.6
[M+NH4]+ 294.24274 171.3
[M+K]+ 315.17208 167.1
[M-H]- 275.20164 159.7
[M+Na-2H]- 297.18359 167.3
[M]+ 276.20837 166.7
[M]- 276.20947 166.7
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.