CID 5320769

Dtxsid30983276

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]+ 265.143446 154.6
[M+Na]+ 287.125388 160.9
[M-H]- 263.128894 161.8
[M+NH4]+ 282.169993 173.5
[M+K]+ 303.099328 161.9
[M+H-H2O]+ 247.133430 151.3
[M+HCOO]- 309.134371 167.8
[M+CH3COO]- 323.150021 199.2
[M+Na-2H]- 285.110836 157.0
[M]+ 264.13562142 150.3
[M]- 264.13671858 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