CID 85231437

(8betaoh,10beta)-8-hydroxy-3-oxo-7(11)-eremophilen-12,8-olide

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1C(=O)CCC2C1(CC3=C(C(=O)OC3(C2)O)C)C
InChI
InChI=1S/C15H20O4/c1-8-11-7-14(3)9(2)12(16)5-4-10(14)6-15(11,18)19-13(8)17/h9-10,18H,4-7H2,1-3H3
InChIKey
AQAVKEZEFHFROC-UHFFFAOYSA-N
Compound name
9a-hydroxy-3,4a,5-trimethyl-4,5,7,8,8a,9-hexahydrobenzo[f][1]benzofuran-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 158.8
[M+Na]+ 287.12539 168.8
[M+NH4]+ 282.16999 169.7
[M+K]+ 303.09933 161.9
[M-H]- 263.12889 161.0
[M+Na-2H]- 285.11084 161.6
[M]+ 264.13562 161.0
[M]- 264.13672 161.0
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.