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
6
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]+ 221.113206 148.8
[M+Na]+ 243.095148 154.0
[M-H]- 219.098654 148.6
[M+NH4]+ 238.139753 163.3
[M+K]+ 259.069088 153.5
[M+H-H2O]+ 203.103190 143.0
[M+HCOO]- 265.104131 165.3
[M+CH3COO]- 279.119781 187.3
[M+Na-2H]- 241.080596 149.5
[M]+ 220.10538142 143.9
[M]- 220.10647858 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

literature stripe

Patent stripe

patents stripe