CID 13412795

1,5-dihydroxy-2-methoxy-6-methylanthraquinone

Structural Information

Molecular Formula
C16H12O5
SMILES
CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3O)OC)O
InChI
InChI=1S/C16H12O5/c1-7-3-4-8-11(13(7)17)14(18)9-5-6-10(21-2)16(20)12(9)15(8)19/h3-6,17,20H,1-2H3
InChIKey
JJTIQZJKQCQNJK-UHFFFAOYSA-N
Compound name
1,5-dihydroxy-2-methoxy-6-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.06848 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07576 158.9
[M+Na]+ 307.05770 170.4
[M-H]- 283.06120 163.1
[M+NH4]+ 302.10230 176.4
[M+K]+ 323.03164 166.3
[M+H-H2O]+ 267.06574 152.8
[M+HCOO]- 329.06668 177.3
[M+CH3COO]- 343.08233 200.9
[M+Na-2H]- 305.04315 163.4
[M]+ 284.06793 162.3
[M]- 284.06903 162.3
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

No patent data available for this compound.