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

73
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 154.6
[M+Na]+ 287.12539 160.9
[M-H]- 263.12889 161.8
[M+NH4]+ 282.16999 173.5
[M+K]+ 303.09933 161.9
[M+H-H2O]+ 247.13343 151.3
[M+HCOO]- 309.13437 167.8
[M+CH3COO]- 323.15002 199.2
[M+Na-2H]- 285.11084 157.0
[M]+ 264.13562 150.3
[M]- 264.13672 150.3
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

patents stripe