CID 124202060

Diphenol glucuronide

Structural Information

Molecular Formula
C12H14O8
SMILES
C1=CC=C(C(=C1)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C12H14O8/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12-16H,(H,17,18)/t7-,8-,9+,10-,12+/m1/s1
InChIKey
ICPYZFZFSLTYID-GPTQDWHKSA-N
Compound name
(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(2-hydroxyphenoxy)oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

286.06888 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07616 160.1
[M+Na]+ 309.05810 168.9
[M+NH4]+ 304.10270 163.9
[M+K]+ 325.03204 168.2
[M-H]- 285.06160 160.2
[M+Na-2H]- 307.04355 160.9
[M]+ 286.06833 160.8
[M]- 286.06943 160.8
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

No patent data available for this compound.