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 160.7
[M+Na]+ 307.05770 175.5
[M+NH4]+ 302.10230 168.3
[M+K]+ 323.03164 169.4
[M-H]- 283.06120 162.6
[M+Na-2H]- 305.04315 164.7
[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

No patent data available for this compound.