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]+ 343.211496 185.9
[M+Na]+ 365.193438 187.0
[M-H]- 341.196944 181.4
[M+NH4]+ 360.238043 191.2
[M+K]+ 381.167378 185.2
[M+H-H2O]+ 325.201480 179.4
[M+HCOO]- 387.202421 190.4
[M+CH3COO]- 401.218071 210.8
[M+Na-2H]- 363.178886 179.8
[M]+ 342.20367142 190.6
[M]- 342.20476858 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.