CID 165420

1-naaga

Structural Information

Molecular Formula
C10H18N2O6
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C)CO)O)O
InChI
InChI=1S/C10H18N2O6/c1-4(14)11-7-9(17)8(16)6(3-13)18-10(7)12-5(2)15/h6-10,13,16-17H,3H2,1-2H3,(H,11,14)(H,12,15)/t6-,7-,8-,9-,10-/m1/s1
InChIKey
MVMHZICMHUYFIW-VVULQXIFSA-N
Compound name
N-[(2R,3R,4R,5S,6R)-2-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

262.1165 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12378 158.8
[M+Na]+ 285.10572 163.9
[M+NH4]+ 280.15032 162.0
[M+K]+ 301.07966 163.7
[M-H]- 261.10922 157.8
[M+Na-2H]- 283.09117 156.9
[M]+ 262.11595 158.4
[M]- 262.11705 158.4
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