CID 44151886

Anthra(2,3-b)oxirene-3,8-dione, 1a,2,2a,8a,9,9a-hexahydro-1a-methyl-

Structural Information

Molecular Formula
C15H14O3
SMILES
CC12CC3C(CC1O2)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C15H14O3/c1-15-7-11-10(6-12(15)18-15)13(16)8-4-2-3-5-9(8)14(11)17/h2-5,10-12H,6-7H2,1H3
InChIKey
MFABPXKHKBXOAA-UHFFFAOYSA-N
Compound name
12-methyl-13-oxatetracyclo[8.5.0.03,8.012,14]pentadeca-3,5,7-triene-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 154.8
[M+Na]+ 265.08352 166.1
[M-H]- 241.08702 162.3
[M+NH4]+ 260.12812 171.3
[M+K]+ 281.05746 163.1
[M+H-H2O]+ 225.09156 148.3
[M+HCOO]- 287.09250 170.0
[M+CH3COO]- 301.10815 167.2
[M+Na-2H]- 263.06897 162.4
[M]+ 242.09375 157.6
[M]- 242.09485 157.6
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.