CID 5320769

6466-67-7

Structural Information

Molecular Formula
C15H20O4
SMILES
C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1CCC(=O)O3)C)OC(=O)C2=C
InChI
InChI=1S/C15H20O4/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(16)19-15/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10-,11-,13+,15+/m0/s1
InChIKey
FZYIWDQVFMUXPW-OEAYZANCSA-N
Compound name
(1R,2R,6S,9S,10S)-1,9-dimethyl-5-methylidene-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

264.13617 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.