CID 88702

20818-25-1

Structural Information

Molecular Formula
C12H17NO6
SMILES
C1=CC(=CC=C1N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10+,11-,12-/m1/s1
InChIKey
MIAKOEWBCMPCQR-RMPHRYRLSA-N
Compound name
(2S,3R,4S,5S,6R)-2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

114
Patents

271.1056 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11288 159.6
[M+Na]+ 294.09482 168.7
[M+NH4]+ 289.13942 164.7
[M+K]+ 310.06876 166.4
[M-H]- 270.09832 161.7
[M+Na-2H]- 292.08027 161.5
[M]+ 271.10505 161.0
[M]- 271.10615 161.0
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