CID 220848

33982-93-3

Structural Information

Molecular Formula
C14H16O2
SMILES
C1C=CCC2C1C(=O)C3CC=CCC3C2=O
InChI
InChI=1S/C14H16O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-4,9-12H,5-8H2
InChIKey
AWKYKXCWTDDILL-UHFFFAOYSA-N
Compound name
1,4,4a,5,8,8a,9a,10a-octahydroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

216.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12232 147.3
[M+Na]+ 239.10426 160.0
[M+NH4]+ 234.14886 157.5
[M+K]+ 255.07820 152.1
[M-H]- 215.10776 150.8
[M+Na-2H]- 237.08971 151.7
[M]+ 216.11449 150.0
[M]- 216.11559 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe