CID 124202060

Refchem:1093097

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]+ 287.076156 158.7
[M+Na]+ 309.058098 164.5
[M-H]- 285.061604 159.8
[M+NH4]+ 304.102703 169.5
[M+K]+ 325.032038 163.7
[M+H-H2O]+ 269.066140 152.3
[M+HCOO]- 331.067081 171.5
[M+CH3COO]- 345.082731 190.0
[M+Na-2H]- 307.043546 159.3
[M]+ 286.06833142 156.7
[M]- 286.06942858 156.7
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.