PubChemLite - Methyl alpha-d-glucopyranoside (C7H14O6)

Structural Information

Molecular Formula

C₇H₁₄O₆

SMILES

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

InChI

InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1

InChIKey

HOVAGTYPODGVJG-ZFYZTMLRSA-N

Compound name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-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]+	195.08632	138.9
[M+Na]+	217.06826	145.7
[M-H]-	193.07176	138.1
[M+NH4]+	212.11286	154.8
[M+K]+	233.04220	145.5
[M+H-H2O]+	177.07630	134.3
[M+HCOO]-	239.07724	153.9
[M+CH3COO]-	253.09289	174.3
[M+Na-2H]-	215.05371	141.7
[M]+	194.07849	137.4
[M]-	194.07959	137.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

195.08632

138.9

[M+Na]+

217.06826

145.7

[M-H]-

193.07176

138.1

[M+NH4]+

212.11286

154.8

[M+K]+

233.04220

145.5

[M+H-H2O]+

177.07630

134.3

[M+HCOO]-

239.07724

153.9

[M+CH3COO]-

253.09289

174.3

[M+Na-2H]-

215.05371

141.7

[M]+

194.07849

137.4

[M]-

194.07959

137.4

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

Methyl alpha-d-glucopyranoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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