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]+ 273.07576 156.8
[M+Na]+ 295.05770 167.6
[M-H]- 271.06120 158.5
[M+NH4]+ 290.10230 173.5
[M+K]+ 311.03164 162.8
[M+H-H2O]+ 255.06574 151.5
[M+HCOO]- 317.06668 172.3
[M+CH3COO]- 331.08233 194.3
[M+Na-2H]- 293.04315 160.9
[M]+ 272.06793 157.1
[M]- 272.06903 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.