CID 10731060

(10z,14e,16e)-10,14,16-octadecatrien-12-ynoic acid

Structural Information

Molecular Formula
C18H26O2
SMILES
C/C=C/C=C/C#C/C=C\CCCCCCCCC(=O)O
InChI
InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-9H,10-17H2,1H3,(H,19,20)/b3-2+,5-4+,9-8-
InChIKey
KDVOULUCGQGVQH-IUDSIRJBSA-N
Compound name
(10Z,14E,16E)-octadeca-10,14,16-trien-12-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.19327 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20055 169.6
[M+Na]+ 297.18249 177.6
[M+NH4]+ 292.22709 171.1
[M+K]+ 313.15643 167.1
[M-H]- 273.18599 159.5
[M+Na-2H]- 295.16794 167.1
[M]+ 274.19272 166.6
[M]- 274.19382 166.6
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.