CID 91826600

Refchem:794175

Structural Information

Molecular Formula
C8H15NO7
SMILES
C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CN)O)O)O
InChI
InChI=1S/C8H15NO7/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,10-12,15H,1-2,9H2,(H,13,14)/t3-,4-,5-,6-,8-/m1/s1
InChIKey
GOPKKCUKKPELKY-HXUQBWEZSA-N
Compound name
(2R,4R,5R,6R)-6-[(1R)-2-amino-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

9
Patents

237.08485 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.092126 149.6
[M+Na]+ 260.074068 154.2
[M-H]- 236.077574 146.5
[M+NH4]+ 255.118673 163.7
[M+K]+ 276.048008 154.2
[M+H-H2O]+ 220.082110 145.5
[M+HCOO]- 282.083051 161.4
[M+CH3COO]- 296.098701 182.4
[M+Na-2H]- 258.059516 150.4
[M]+ 237.08430142 144.4
[M]- 237.08539858 144.4
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