CID 5312640

13z,17-octadecadiene-9,11-diynoic acid

Structural Information

Molecular Formula
C18H24O2
SMILES
C=CCC/C=C\C#CC#CCCCCCCCC(=O)O
InChI
InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,5-6H,1,3-4,11-17H2,(H,19,20)/b6-5-
InChIKey
GYLJVPBWGZUNMB-WAYWQWQTSA-N
Compound name
(13Z)-octadeca-13,17-dien-9,11-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

243
Patents

272.17764 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18492 170.2
[M+Na]+ 295.16686 177.8
[M-H]- 271.17036 169.5
[M+NH4]+ 290.21146 180.8
[M+K]+ 311.14080 172.2
[M+H-H2O]+ 255.17490 156.4
[M+HCOO]- 317.17584 177.4
[M+CH3COO]- 331.19149 218.2
[M+Na-2H]- 293.15231 168.4
[M]+ 272.17709 163.7
[M]- 272.17819 163.7
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.