CID 5488186

Urolithin a

Structural Information

Molecular Formula
C13H8O4
SMILES
C1=CC2=C(C=C1O)C(=O)OC3=C2C=CC(=C3)O
InChI
InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H
InChIKey
RIUPLDUFZCXCHM-UHFFFAOYSA-N
Compound name
3,8-dihydroxybenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

288
References

1165
Patents

228.04225 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04953 143.6
[M+Na]+ 251.03147 160.7
[M+NH4]+ 246.07607 152.5
[M+K]+ 267.00541 153.9
[M-H]- 227.03497 147.9
[M+Na-2H]- 249.01692 150.8
[M]+ 228.04170 147.4
[M]- 228.04280 147.4
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