CID 74083239

4-methoxybenzyl o-(2-sulfoglucoside)

Structural Information

Molecular Formula
C14H20O10S
SMILES
COC1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)OS(=O)(=O)O
InChI
InChI=1S/C14H20O10S/c1-21-9-4-2-8(3-5-9)7-22-14-13(24-25(18,19)20)12(17)11(16)10(6-15)23-14/h2-5,10-17H,6-7H2,1H3,(H,18,19,20)
InChIKey
LILHPDXFNPJEJC-UHFFFAOYSA-N
Compound name
[4,5-dihydroxy-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxy]oxan-3-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.07773 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.08501 177.5
[M+Na]+ 403.06695 182.1
[M-H]- 379.07045 179.2
[M+NH4]+ 398.11155 185.3
[M+K]+ 419.04089 181.6
[M+H-H2O]+ 363.07499 170.7
[M+HCOO]- 425.07593 186.2
[M+CH3COO]- 439.09158 205.5
[M+Na-2H]- 401.05240 179.2
[M]+ 380.07718 182.4
[M]- 380.07828 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.