CID 10354306

148504-11-4

Structural Information

Molecular Formula
C11H15NO5
SMILES
C1=CC(=CC=C1N)O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H15NO5/c12-6-1-3-7(4-2-6)16-11-10(15)9(14)8(5-13)17-11/h1-4,8-11,13-15H,5,12H2/t8-,9-,10-,11-/m1/s1
InChIKey
SLLMCDDTDIJDCF-GWOFURMSSA-N
Compound name
(2S,3R,4S,5R)-2-(4-aminophenoxy)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

241.09502 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10230 150.8
[M+Na]+ 264.08424 157.5
[M-H]- 240.08774 154.2
[M+NH4]+ 259.12884 166.4
[M+K]+ 280.05818 155.7
[M+H-H2O]+ 224.09228 144.9
[M+HCOO]- 286.09322 169.9
[M+CH3COO]- 300.10887 186.4
[M+Na-2H]- 262.06969 152.4
[M]+ 241.09447 148.9
[M]- 241.09557 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe