CID 170835689

Chebi:229524

Structural Information

Molecular Formula
C15H20O3
SMILES
C[C@@]12CC(=O)C3[C@@]14[C@@H](CC[C@H]4C(C2)(C)C)C(=O)O3
InChI
InChI=1S/C15H20O3/c1-13(2)7-14(3)6-9(16)11-15(14)8(12(17)18-11)4-5-10(13)15/h8,10-11H,4-7H2,1-3H3/t8-,10-,11?,14-,15-/m0/s1
InChIKey
QBKIWUDMUSNYPB-MWSRYMSPSA-N
Compound name
(4R,7S,10R,13S)-8,8,10-trimethyl-2-oxatetracyclo[5.5.1.04,13.010,13]tridecane-3,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 153.4
[M+Na]+ 271.13047 160.0
[M+NH4]+ 266.17507 166.5
[M+K]+ 287.10441 157.3
[M-H]- 247.13397 154.8
[M+Na-2H]- 269.11592 155.2
[M]+ 248.14070 155.0
[M]- 248.14180 155.0
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.