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 185.9
[M+Na]+ 365.19344 187.0
[M-H]- 341.19694 181.4
[M+NH4]+ 360.23804 191.2
[M+K]+ 381.16738 185.2
[M+H-H2O]+ 325.20148 179.4
[M+HCOO]- 387.20242 190.4
[M+CH3COO]- 401.21807 210.8
[M+Na-2H]- 363.17889 179.8
[M]+ 342.20367 190.6
[M]- 342.20477 190.6
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.