CID 11243846

9-hydroxy-10-oxo-12(z),15(z)-octadecadienoic acid

Structural Information

Molecular Formula
C18H30O4
SMILES
CC/C=C\C/C=C\CC(=O)C(CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H30O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h3-4,7,10,17,20H,2,5-6,8-9,11-15H2,1H3,(H,21,22)/b4-3-,10-7-
InChIKey
NJAYHLDXCVDTEV-ZJSQCTGTSA-N
Compound name
(12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

310.21442 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.221696 181.7
[M+Na]+ 333.203638 183.6
[M-H]- 309.207144 177.2
[M+NH4]+ 328.248243 194.7
[M+K]+ 349.177578 179.4
[M+H-H2O]+ 293.211680 175.4
[M+HCOO]- 355.212621 197.3
[M+CH3COO]- 369.228271 203.6
[M+Na-2H]- 331.189086 177.7
[M]+ 310.21387142 184.5
[M]- 310.21496858 184.5
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