CID 375105

Isoplumbagin

Structural Information

Molecular Formula
C11H8O3
SMILES
CC1=CC(=O)C2=C(C1=O)C(=CC=C2)O
InChI
InChI=1S/C11H8O3/c1-6-5-9(13)7-3-2-4-8(12)10(7)11(6)14/h2-5,12H,1H3
InChIKey
ZMOIGGHUSNHCAB-UHFFFAOYSA-N
Compound name
8-hydroxy-2-methylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2007
Patents

188.04735 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05463 136.2
[M+Na]+ 211.03657 150.5
[M+NH4]+ 206.08117 144.8
[M+K]+ 227.01051 144.1
[M-H]- 187.04007 138.3
[M+Na-2H]- 209.02202 142.2
[M]+ 188.04680 138.8
[M]- 188.04790 138.8
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