PubChemLite - D-glucosamine (C6H13NO5)

Structural Information

Molecular Formula

C₆H₁₃NO₅

SMILES

C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O

InChI

InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1

InChIKey

MSWZFWKMSRAUBD-IVMDWMLBSA-N

Compound name

(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol

Related CIDs

2D Structure

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]+	180.08666	137.2
[M+Na]+	202.06860	143.6
[M-H]-	178.07210	135.9
[M+NH4]+	197.11320	153.0
[M+K]+	218.04254	142.6
[M+H-H2O]+	162.07664	132.3
[M+HCOO]-	224.07758	152.6
[M+CH3COO]-	238.09323	173.9
[M+Na-2H]-	200.05405	139.4
[M]+	179.07883	131.9
[M]-	179.07993	131.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

180.08666

137.2

[M+Na]+

202.06860

143.6

[M-H]-

178.07210

135.9

[M+NH4]+

197.11320

153.0

[M+K]+

218.04254

142.6

[M+H-H2O]+

162.07664

132.3

[M+HCOO]-

224.07758

152.6

[M+CH3COO]-

238.09323

173.9

[M+Na-2H]-

200.05405

139.4

[M]+

179.07883

131.9

[M]-

179.07993

131.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

D-glucosamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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