CID 439454

112339-01-2

Structural Information

Molecular Formula
C8H16N2O5
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N)CO)O)O
InChI
InChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1
InChIKey
MCGXOCXFFNKASF-FMDGEEDCSA-N
Compound name
N-[(2R,3R,4R,5S,6R)-2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

57
Patents

220.10593 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11321 148.8
[M+Na]+ 243.09515 154.0
[M-H]- 219.09865 148.6
[M+NH4]+ 238.13975 163.3
[M+K]+ 259.06909 153.5
[M+H-H2O]+ 203.10319 143.0
[M+HCOO]- 265.10413 165.3
[M+CH3COO]- 279.11978 187.3
[M+Na-2H]- 241.08060 149.5
[M]+ 220.10538 143.9
[M]- 220.10648 143.9
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

No patent data available for this compound.