CID 101682219

2137033-83-9

Structural Information

Molecular Formula
C6H9NO5
SMILES
C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)N
InChI
InChI=1S/C6H9NO5/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,8-10H,1,7H2/t2-,5+/m0/s1
InChIKey
NWWNMEXBDCKKIG-JLAZNSOCSA-N
Compound name
(2R)-2-[(1S)-2-amino-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

175.04807 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05535 134.3
[M+Na]+ 198.03729 141.3
[M+NH4]+ 193.08189 139.3
[M+K]+ 214.01123 142.4
[M-H]- 174.04079 133.4
[M+Na-2H]- 196.02274 134.3
[M]+ 175.04752 134.4
[M]- 175.04862 134.4
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