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 155.1
[M+Na]+ 271.13047 165.2
[M-H]- 247.13397 162.6
[M+NH4]+ 266.17507 186.7
[M+K]+ 287.10441 161.8
[M+H-H2O]+ 231.13851 154.6
[M+HCOO]- 293.13945 172.9
[M+CH3COO]- 307.15510 169.0
[M+Na-2H]- 269.11592 156.2
[M]+ 248.14070 157.3
[M]- 248.14180 157.3
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

No patent data available for this compound.