CID 116748

1,2,3,4-tetrahydro-6,7-dimethyl-4a,9a-epoxyanthracene-9,10-dione

Structural Information

Molecular Formula
C16H16O3
SMILES
CC1=CC2=C(C=C1C)C(=O)C34CCCCC3(C2=O)O4
InChI
InChI=1S/C16H16O3/c1-9-7-11-12(8-10(9)2)14(18)16-6-4-3-5-15(16,19-16)13(11)17/h7-8H,3-6H2,1-2H3
InChIKey
OJNNGLAQBNGNSK-UHFFFAOYSA-N
Compound name
5,6-dimethyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10995 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 159.4
[M+Na]+ 279.09917 175.1
[M+NH4]+ 274.14377 172.4
[M+K]+ 295.07311 165.6
[M-H]- 255.10267 172.1
[M+Na-2H]- 277.08462 169.2
[M]+ 256.10940 166.9
[M]- 256.11050 166.9
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.