CID 131752496

(-)-11-hydroxy-9,15,16-trioxooctadecanoic acid

Structural Information

Molecular Formula
C18H30O6
SMILES
CCC(=O)C(=O)CCCC(CC(=O)CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H30O6/c1-2-16(21)17(22)11-8-10-15(20)13-14(19)9-6-4-3-5-7-12-18(23)24/h15,20H,2-13H2,1H3,(H,23,24)
InChIKey
DRPDZKNSZVIOQR-UHFFFAOYSA-N
Compound name
11-hydroxy-9,15,16-trioxooctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.20422 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.21150 184.4
[M+Na]+ 365.19344 188.0
[M+NH4]+ 360.23804 197.2
[M+K]+ 381.16738 194.1
[M-H]- 341.19694 190.1
[M+Na-2H]- 363.17889 180.3
[M]+ 342.20367 182.2
[M]- 342.20477 182.2
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.