CID 6438497

Chebi:136522

Structural Information

Molecular Formula
C18H32O3
SMILES
CCCCC/C=C\C(/C=C\CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H32O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h11-12,14-15,17,19H,2-10,13,16H2,1H3,(H,20,21)/b14-11-,15-12-
InChIKey
GIJZWHLTBMCTJV-GFCQZRJLSA-N
Compound name
(9Z,12Z)-11-hydroxyoctadeca-9,12-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
Patents

296.23514 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.24242 179.2
[M+Na]+ 319.22436 185.3
[M+NH4]+ 314.26896 183.0
[M+K]+ 335.19830 179.0
[M-H]- 295.22786 175.5
[M+Na-2H]- 317.20981 177.5
[M]+ 296.23459 178.4
[M]- 296.23569 178.4
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

patents stripe