CID 168007593

Chebi:194449

Structural Information

Molecular Formula
C18H30O3
SMILES
CC/C=C\C/C=C\C[C@H](CC/C=C\CCCCC(=O)O)O
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,6,8-9,11,17,19H,2,5,7,10,12-16H2,1H3,(H,20,21)/b4-3-,9-6-,11-8-/t17-/m1/s1
InChIKey
JCDGKYCOZAGNJR-MRWIZEHZSA-N
Compound name
(6Z,10S,12Z,15Z)-10-hydroxyoctadeca-6,12,15-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.21948 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.226756 178.9
[M+Na]+ 317.208698 181.2
[M-H]- 293.212204 174.4
[M+NH4]+ 312.253303 192.9
[M+K]+ 333.182638 176.0
[M+H-H2O]+ 277.216740 172.8
[M+HCOO]- 339.217681 195.3
[M+CH3COO]- 353.233331 200.1
[M+Na-2H]- 315.194146 176.1
[M]+ 294.21893142 180.9
[M]- 294.22002858 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.