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

7
Patents

300.1209 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.128176 166.1
[M+Na]+ 323.110118 171.7
[M-H]- 299.113624 168.2
[M+NH4]+ 318.154723 177.4
[M+K]+ 339.084058 170.5
[M+H-H2O]+ 283.118160 159.2
[M+HCOO]- 345.119101 180.4
[M+CH3COO]- 359.134751 195.0
[M+Na-2H]- 321.095566 167.2
[M]+ 300.12035142 166.5
[M]- 300.12144858 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