CID 361513

1,3-dimethoxy-8-hydroxy-9,10-anthraquinone

Structural Information

Molecular Formula
C16H12O5
SMILES
COC1=CC2=C(C(=C1)OC)C(=O)C3=C(C2=O)C=CC=C3O
InChI
InChI=1S/C16H12O5/c1-20-8-6-10-14(12(7-8)21-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h3-7,17H,1-2H3
InChIKey
MCHNUYTWURIGNT-UHFFFAOYSA-N
Compound name
8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

284.06848 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07576 158.5
[M+Na]+ 307.05770 169.6
[M-H]- 283.06120 163.8
[M+NH4]+ 302.10230 176.5
[M+K]+ 323.03164 166.2
[M+H-H2O]+ 267.06574 151.9
[M+HCOO]- 329.06668 178.5
[M+CH3COO]- 343.08233 201.8
[M+Na-2H]- 305.04315 164.1
[M]+ 284.06793 163.3
[M]- 284.06903 163.3
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

patents stripe