CID 91178

1,2,3,4,4a,9a-hexahydro-1,4-methanoanthracene-9,10-dione

Structural Information

Molecular Formula
C15H14O2
SMILES
C1CC2CC1C3C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C15H14O2/c16-14-10-3-1-2-4-11(10)15(17)13-9-6-5-8(7-9)12(13)14/h1-4,8-9,12-13H,5-7H2
InChIKey
CSZUOCIWGJGKHZ-UHFFFAOYSA-N
Compound name
tetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-3,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.106656 149.4
[M+Na]+ 249.088598 158.4
[M-H]- 225.092104 154.4
[M+NH4]+ 244.133203 175.0
[M+K]+ 265.062538 153.3
[M+H-H2O]+ 209.096640 145.1
[M+HCOO]- 271.097581 167.5
[M+CH3COO]- 285.113231 162.4
[M+Na-2H]- 247.074046 152.0
[M]+ 226.09883142 148.3
[M]- 226.09992858 148.3
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