CID 511915

Phenyl 2-deoxy-alpha-d-glucopyranoside

Structural Information

Molecular Formula
C12H16O5
SMILES
C1[C@H]([C@@H]([C@H](O[C@@H]1OC2=CC=CC=C2)CO)O)O
InChI
InChI=1S/C12H16O5/c13-7-10-12(15)9(14)6-11(17-10)16-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12+/m1/s1
InChIKey
NAFPJWKRAKMZAQ-WYUUTHIRSA-N
Compound name
(2R,3S,4R,6R)-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.09978 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10706 151.6
[M+Na]+ 263.08900 157.2
[M-H]- 239.09250 154.8
[M+NH4]+ 258.13360 165.7
[M+K]+ 279.06294 155.7
[M+H-H2O]+ 223.09704 145.1
[M+HCOO]- 285.09798 167.9
[M+CH3COO]- 299.11363 183.8
[M+Na-2H]- 261.07445 155.3
[M]+ 240.09923 149.3
[M]- 240.10033 149.3
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

No patent data available for this compound.