CID 10163

Lucidin

Structural Information

Molecular Formula
C15H10O5
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)CO)O
InChI
InChI=1S/C15H10O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-5,16-17,20H,6H2
InChIKey
AMIDUPFSOUCLQB-UHFFFAOYSA-N
Compound name
1,3-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

26
References

470
Patents

270.05283 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.060106 154.8
[M+Na]+ 293.042048 165.5
[M-H]- 269.045554 157.5
[M+NH4]+ 288.086653 171.9
[M+K]+ 309.015988 160.7
[M+H-H2O]+ 253.050090 149.1
[M+HCOO]- 315.051031 172.2
[M+CH3COO]- 329.066681 194.3
[M+Na-2H]- 291.027496 160.1
[M]+ 270.05228142 155.8
[M]- 270.05337858 155.8
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