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

2
Patents

226.09938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 149.4
[M+Na]+ 249.08860 158.4
[M-H]- 225.09210 154.4
[M+NH4]+ 244.13320 175.0
[M+K]+ 265.06254 153.3
[M+H-H2O]+ 209.09664 145.1
[M+HCOO]- 271.09758 167.5
[M+CH3COO]- 285.11323 162.4
[M+Na-2H]- 247.07405 152.0
[M]+ 226.09883 148.3
[M]- 226.09993 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