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 145.4
[M+Na]+ 239.10426 151.5
[M-H]- 215.10776 149.8
[M+NH4]+ 234.14886 165.9
[M+K]+ 255.07820 147.7
[M+H-H2O]+ 199.11230 139.0
[M+HCOO]- 261.11324 161.4
[M+CH3COO]- 275.12889 157.1
[M+Na-2H]- 237.08971 150.2
[M]+ 216.11449 139.8
[M]- 216.11559 139.9
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