CID 22183154

4-methoxybenzyl glucoside

Structural Information

Molecular Formula
C14H20O7
SMILES
COC1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C14H20O7/c1-19-9-4-2-8(3-5-9)7-20-14-13(18)12(17)11(16)10(6-15)21-14/h2-5,10-18H,6-7H2,1H3
InChIKey
GRBSGJQPRONUPW-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(4-methoxyphenyl)methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

300.1209 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12818 166.1
[M+Na]+ 323.11012 171.7
[M-H]- 299.11362 168.2
[M+NH4]+ 318.15472 177.4
[M+K]+ 339.08406 170.5
[M+H-H2O]+ 283.11816 159.2
[M+HCOO]- 345.11910 180.4
[M+CH3COO]- 359.13475 195.0
[M+Na-2H]- 321.09557 167.2
[M]+ 300.12035 166.5
[M]- 300.12145 166.5
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

patents stripe