CID 97182181

593252-73-4

Structural Information

Molecular Formula

C₁₀H₁₈N₄O₆

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCCN=[N+]=[N-])CO)O)O

InChI

InChI=1S/C10H18N4O6/c1-5(16)13-7-9(18)8(17)6(4-15)20-10(7)19-3-2-12-14-11/h6-10,15,17-18H,2-4H2,1H3,(H,13,16)/t6-,7-,8-,9-,10+/m1/s1

InChIKey

DHQJPCIPZHPDSL-IGORNWKESA-N

Compound name

N-[(2S,3R,4R,5S,6R)-2-(2-azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.12262 Da
Monoisotopic Mass: -1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	291.129896	161.1
[M+Na]+	313.111838	164.4
[M-H]-	289.115344	163.5
[M+NH4]+	308.156443	173.0
[M+K]+	329.085778	159.8
[M+H-H2O]+	273.119880	158.2
[M+HCOO]-	335.120821	183.5
[M+CH3COO]-	349.136471	199.8
[M+Na-2H]-	311.097286	166.6
[M]+	290.12207142	157.7
[M]-	290.12316858	157.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.