CID 5312839

8-hydroxy-13z-octadecene-9,11-diynoic acid

Structural Information

Molecular Formula
C18H26O3
SMILES
CCCC/C=C\C#CC#CC(CCCCCCC(=O)O)O
InChI
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h5-6,17,19H,2-4,9-10,12-13,15-16H2,1H3,(H,20,21)/b6-5-
InChIKey
BFYLXOBBDBQUMB-WAYWQWQTSA-N
Compound name
(Z)-8-hydroxyoctadec-13-en-9,11-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1882 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19548 174.1
[M+Na]+ 313.17742 180.8
[M-H]- 289.18092 172.5
[M+NH4]+ 308.22202 183.7
[M+K]+ 329.15136 176.1
[M+H-H2O]+ 273.18546 160.3
[M+HCOO]- 335.18640 179.7
[M+CH3COO]- 349.20205 218.8
[M+Na-2H]- 311.16287 171.0
[M]+ 290.18765 167.3
[M]- 290.18875 167.3
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.