CID 146170923

3,8,9,10-tetrahydroxy-6-methyl-1,4-dihydroanthracen-1-one

Structural Information

Molecular Formula
C15H12O5
SMILES
CC1=CC2=C(C(=C1)O)C(=C3C(=C2O)CC(=O)C=C3O)O
InChI
InChI=1S/C15H12O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-3,5,17-20H,4H2,1H3
InChIKey
WAMVBOVLNIMLMQ-UHFFFAOYSA-N
Compound name
4,5,9,10-tetrahydroxy-7-methyl-1H-anthracen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.06848 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.075756 156.8
[M+Na]+ 295.057698 167.6
[M-H]- 271.061204 158.5
[M+NH4]+ 290.102303 173.5
[M+K]+ 311.031638 162.8
[M+H-H2O]+ 255.065740 151.5
[M+HCOO]- 317.066681 172.3
[M+CH3COO]- 331.082331 194.3
[M+Na-2H]- 293.043146 160.9
[M]+ 272.06793142 157.1
[M]- 272.06902858 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.