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

7
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 158.6
[M+Na]+ 285.10572 162.8
[M-H]- 261.10922 158.6
[M+NH4]+ 280.15032 171.4
[M+K]+ 301.07966 162.9
[M+H-H2O]+ 245.11376 152.4
[M+HCOO]- 307.11470 174.5
[M+CH3COO]- 321.13035 195.9
[M+Na-2H]- 283.09117 158.4
[M]+ 262.11595 155.5
[M]- 262.11705 155.5
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.