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]+ 176.055346 132.7
[M+Na]+ 198.037288 140.9
[M-H]- 174.040794 133.4
[M+NH4]+ 193.081893 151.6
[M+K]+ 214.011228 140.8
[M+H-H2O]+ 158.045330 129.1
[M+HCOO]- 220.046271 148.6
[M+CH3COO]- 234.061921 170.0
[M+Na-2H]- 196.022736 136.3
[M]+ 175.04752142 131.4
[M]- 175.04861858 131.4
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

No patent data available for this compound.