CID 511896

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

Structural Information

Molecular Formula
C12H15N3O5
SMILES
C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN=[N+]=[N-])O)O)O
InChI
InChI=1S/C12H15N3O5/c13-15-14-6-8-9(16)10(17)11(18)12(20-8)19-7-4-2-1-3-5-7/h1-5,8-12,16-18H,6H2/t8-,9-,10+,11-,12-/m1/s1
InChIKey
ALQOBJRJINPRMC-RMPHRYRLSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(azidomethyl)-6-phenoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.10117 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10845 159.5
[M+Na]+ 304.09039 164.0
[M-H]- 280.09389 165.3
[M+NH4]+ 299.13499 171.9
[M+K]+ 320.06433 157.8
[M+H-H2O]+ 264.09843 156.0
[M+HCOO]- 326.09937 182.4
[M+CH3COO]- 340.11502 194.8
[M+Na-2H]- 302.07584 166.9
[M]+ 281.10062 155.3
[M]- 281.10172 155.3
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.