CID 14888193

2508-81-8

Structural Information

Molecular Formula
C6H9NO5
SMILES
C([C@@H]1[C@H]([C@@H]2[C@H](O1)NC(=O)O2)O)O
InChI
InChI=1S/C6H9NO5/c8-1-2-3(9)4-5(11-2)7-6(10)12-4/h2-5,8-9H,1H2,(H,7,10)/t2-,3-,4-,5+/m1/s1
InChIKey
JHLJBMKXTOOGCW-AIHAYLRMSA-N
Compound name
(3aS,5R,6R,6aR)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.04807 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05535 133.6
[M+Na]+ 198.03729 140.9
[M+NH4]+ 193.08189 139.4
[M+K]+ 214.01123 143.3
[M-H]- 174.04079 133.3
[M+Na-2H]- 196.02274 131.8
[M]+ 175.04752 133.9
[M]- 175.04862 133.9
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.