CID 174836

8-hydroxyquadrone

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1(CC23C4C1CCC2(C(=O)OCC3C(=O)C4)O)C
InChI
InChI=1S/C15H20O4/c1-13(2)7-14-9-5-11(16)10(14)6-19-12(17)15(14,18)4-3-8(9)13/h8-10,18H,3-7H2,1-2H3
InChIKey
QFYAMSVHGKUQAI-UHFFFAOYSA-N
Compound name
9-hydroxy-13,13-dimethyl-7-oxatetracyclo[7.5.0.01,5.02,12]tetradecane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 158.1
[M+Na]+ 287.12539 165.8
[M+NH4]+ 282.16999 170.9
[M+K]+ 303.09933 159.2
[M-H]- 263.12889 159.5
[M+Na-2H]- 285.11084 160.1
[M]+ 264.13562 159.8
[M]- 264.13672 159.8
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.