CID 5275911

(11r)-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione

Structural Information

Molecular Formula
C18H24O3
SMILES
C[C@@H]1CCCC(=O)CCCCCC2=CC=CC=C2C(=O)O1
InChI
InChI=1S/C18H24O3/c1-14-8-7-12-16(19)11-4-2-3-9-15-10-5-6-13-17(15)18(20)21-14/h5-6,10,13-14H,2-4,7-9,11-12H2,1H3/t14-/m1/s1
InChIKey
SFCZZHYTZNDONZ-CQSZACIVSA-N
Compound name
(4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),14,16-triene-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.17255 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17983 165.2
[M+Na]+ 311.16177 169.9
[M-H]- 287.16527 168.0
[M+NH4]+ 306.20637 177.6
[M+K]+ 327.13571 168.5
[M+H-H2O]+ 271.16981 162.1
[M+HCOO]- 333.17075 180.3
[M+CH3COO]- 347.18640 194.7
[M+Na-2H]- 309.14722 166.9
[M]+ 288.17200 158.0
[M]- 288.17310 158.0
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.