CID 480948

Chembl96060

Structural Information

Molecular Formula
C6H9NO5
SMILES
C(C1=NO[C@@H]2[C@H]1OC([C@H]2O)O)O
InChI
InChI=1S/C6H9NO5/c8-1-2-4-5(12-7-2)3(9)6(10)11-4/h3-6,8-10H,1H2/t3-,4-,5-,6?/m0/s1
InChIKey
ZGKWLIDXNPUSOH-NNXAEHONSA-N
Compound name
(3aS,6S,6aS)-3-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,2]oxazole-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

175.04807 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05535 131.7
[M+Na]+ 198.03729 140.5
[M-H]- 174.04079 132.8
[M+NH4]+ 193.08189 150.7
[M+K]+ 214.01123 141.0
[M+H-H2O]+ 158.04533 128.0
[M+HCOO]- 220.04627 148.8
[M+CH3COO]- 234.06192 170.3
[M+Na-2H]- 196.02274 136.2
[M]+ 175.04752 132.5
[M]- 175.04862 132.5
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.