CID 373606

Nsc651739

Structural Information

Molecular Formula
C6H9NO5
SMILES
C(C1C(C2C(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)
InChIKey
JHLJBMKXTOOGCW-UHFFFAOYSA-N
Compound name
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

6
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 132.7
[M+Na]+ 198.03729 140.9
[M-H]- 174.04079 133.4
[M+NH4]+ 193.08189 151.6
[M+K]+ 214.01123 140.8
[M+H-H2O]+ 158.04533 129.1
[M+HCOO]- 220.04627 148.6
[M+CH3COO]- 234.06192 170.0
[M+Na-2H]- 196.02274 136.3
[M]+ 175.04752 131.4
[M]- 175.04862 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

No literature data available for this compound.

Patent stripe

patents stripe