CID 511897

.beta.-d-glucopyranoside, phenyl 6-amino-6-deoxy-

Structural Information

Molecular Formula
C12H17NO5
SMILES
C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O
InChI
InChI=1S/C12H17NO5/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-12,14-16H,6,13H2/t8-,9-,10+,11-,12-/m1/s1
InChIKey
VJQWAORFTGWHFM-RMPHRYRLSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-phenoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.11067 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11795 156.4
[M+Na]+ 278.09989 162.0
[M-H]- 254.10339 159.3
[M+NH4]+ 273.14449 169.5
[M+K]+ 294.07383 160.1
[M+H-H2O]+ 238.10793 149.5
[M+HCOO]- 300.10887 173.0
[M+CH3COO]- 314.12452 190.0
[M+Na-2H]- 276.08534 158.7
[M]+ 255.11012 152.8
[M]- 255.11122 152.8
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.