CID 3018082

1,2,3,4-tetrahydro-2-methyl-2,3-epoxyanthracene-9,10-dione

Structural Information

Molecular Formula
C15H12O3
SMILES
CC12CC3=C(CC1O2)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C15H12O3/c1-15-7-11-10(6-12(15)18-15)13(16)8-4-2-3-5-9(8)14(11)17/h2-5,12H,6-7H2,1H3
InChIKey
GRJFXDOULGUCOW-UHFFFAOYSA-N
Compound name
12-methyl-13-oxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),3,5,7-tetraene-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.085916 153.6
[M+Na]+ 263.067858 165.9
[M-H]- 239.071364 161.6
[M+NH4]+ 258.112463 170.4
[M+K]+ 279.041798 162.9
[M+H-H2O]+ 223.075900 147.1
[M+HCOO]- 285.076841 170.4
[M+CH3COO]- 299.092491 166.6
[M+Na-2H]- 261.053306 162.2
[M]+ 240.07809142 157.9
[M]- 240.07918858 157.9
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

No patent data available for this compound.