CID 111152

6092-24-6

Structural Information

Molecular Formula
C13H18O7
SMILES
COC1=CC=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C13H18O7/c1-18-7-4-2-3-5-8(7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1
InChIKey
WBZPEZUBVIAKKS-UJPOAAIJSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

286.10526 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11254 161.6
[M+Na]+ 309.09448 167.7
[M-H]- 285.09798 163.9
[M+NH4]+ 304.13908 173.5
[M+K]+ 325.06842 166.7
[M+H-H2O]+ 269.10252 154.9
[M+HCOO]- 331.10346 176.3
[M+CH3COO]- 345.11911 192.1
[M+Na-2H]- 307.07993 163.2
[M]+ 286.10471 161.6
[M]- 286.10581 161.6
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