CID 13412789

8-hydroxy-1-methoxy-3-methylanthraquinone

Structural Information

Molecular Formula
C16H12O4
SMILES
CC1=CC2=C(C(=C1)OC)C(=O)C3=C(C2=O)C=CC=C3O
InChI
InChI=1S/C16H12O4/c1-8-6-10-14(12(7-8)20-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h3-7,17H,1-2H3
InChIKey
KVRUANCWPQJDMF-UHFFFAOYSA-N
Compound name
8-hydroxy-1-methoxy-3-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

7
Patents

268.07355 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 155.6
[M+Na]+ 291.06277 166.9
[M-H]- 267.06627 160.9
[M+NH4]+ 286.10737 174.3
[M+K]+ 307.03671 162.8
[M+H-H2O]+ 251.07081 149.3
[M+HCOO]- 313.07175 175.5
[M+CH3COO]- 327.08740 199.5
[M+Na-2H]- 289.04822 161.1
[M]+ 268.07300 158.9
[M]- 268.07410 158.9
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