CID 220848

1,4,4a,5,8,8a,9a,10a-octahydroanthracene-9,10-dione

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

55
Patents

216.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.122316 145.4
[M+Na]+ 239.104258 151.5
[M-H]- 215.107764 149.8
[M+NH4]+ 234.148863 165.9
[M+K]+ 255.078198 147.7
[M+H-H2O]+ 199.112300 139.0
[M+HCOO]- 261.113241 161.4
[M+CH3COO]- 275.128891 157.1
[M+Na-2H]- 237.089706 150.2
[M]+ 216.11449142 139.8
[M]- 216.11558858 139.8
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