CID 98958

6-hydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3h)-one

Structural Information

Molecular Formula
C15H20O3
SMILES
CC12CCC3C(C1C(=C)CCC2O)OC(=O)C3=C
InChI
InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-13,16H,1-2,4-7H2,3H3
InChIKey
FKBUODICGDOIGB-UHFFFAOYSA-N
Compound name
6-hydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

110
Patents

248.14125 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 157.5
[M+Na]+ 271.13047 167.0
[M+NH4]+ 266.17507 167.2
[M+K]+ 287.10441 161.3
[M-H]- 247.13397 159.7
[M+Na-2H]- 269.11592 158.0
[M]+ 248.14070 159.3
[M]- 248.14180 159.3
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