CID 11044282

2-phenylethyl beta-d-glucopyranoside

Structural Information

Molecular Formula
C14H20O6
SMILES
C1=CC=C(C=C1)CCOC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14?/m1/s1
InChIKey
MLRIJUWUQTVDQE-RQICVUQASA-N
Compound name
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

12
References

136
Patents

284.12598 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.133256 163.7
[M+Na]+ 307.115198 168.7
[M-H]- 283.118704 165.5
[M+NH4]+ 302.159803 175.5
[M+K]+ 323.089138 166.6
[M+H-H2O]+ 267.123240 156.9
[M+HCOO]- 329.124181 177.9
[M+CH3COO]- 343.139831 191.3
[M+Na-2H]- 305.100646 165.3
[M]+ 284.12543142 162.2
[M]- 284.12652858 162.2
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