CID 124089055

Schembl18258566

Structural Information

Molecular Formula
C18H32O3
SMILES
CC/C=C\CC(CC/C=C\CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11,17,19H,2,4-6,8,10,12-16H2,1H3,(H,20,21)/b9-7-,11-3-
InChIKey
RXTABFLLDULHQN-DFLDIKSJSA-N
Compound name
(9Z,15Z)-13-hydroxyoctadeca-9,15-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

296.23514 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.24242 180.4
[M+Na]+ 319.22436 182.3
[M-H]- 295.22786 175.8
[M+NH4]+ 314.26896 194.3
[M+K]+ 335.19830 177.6
[M+H-H2O]+ 279.23240 174.1
[M+HCOO]- 341.23334 196.5
[M+CH3COO]- 355.24899 201.6
[M+Na-2H]- 317.20981 177.5
[M]+ 296.23459 183.1
[M]- 296.23569 183.1
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

patents stripe