CID 3018082

71173-53-0

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]+ 241.08592 153.9
[M+Na]+ 263.06786 170.3
[M+NH4]+ 258.11246 166.0
[M+K]+ 279.04180 162.3
[M-H]- 239.07136 165.7
[M+Na-2H]- 261.05331 162.0
[M]+ 240.07809 161.1
[M]- 240.07919 161.1
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.