CID 33472

Floribundin

Structural Information

Molecular Formula
C15H20O4
SMILES
C[C@@H]1C[C@@H]2[C@H](C[C@]3([C@H]1CC(=O)OC3)C)C(=C)C(=O)O2
InChI
InChI=1S/C15H20O4/c1-8-4-12-10(9(2)14(17)19-12)6-15(3)7-18-13(16)5-11(8)15/h8,10-12H,2,4-7H2,1,3H3/t8-,10-,11+,12-,15-/m1/s1
InChIKey
GKYRUDQNQRLJRF-RZJSXJPMSA-N
Compound name
(1S,3R,7R,9R,10S)-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecane-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 160.8
[M+Na]+ 287.12539 168.7
[M+NH4]+ 282.16999 169.0
[M+K]+ 303.09933 165.3
[M-H]- 263.12889 163.7
[M+Na-2H]- 285.11084 161.0
[M]+ 264.13562 162.7
[M]- 264.13672 162.7
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.