PubChemLite - Beta-d-galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-d-glucopyranosyl-(1->6)-d-mannose (C18H33NO15)

Structural Information

Molecular Formula

SMILES

C(C1C(C(C(C(O1)OC2C(OC(C(C2O)N)OCC3C(C(C(C(O3)O)O)O)O)CO)O)O)O)O

InChI

InChI=1S/C18H33NO15/c19-7-10(24)15(34-18-14(28)12(26)8(22)4(1-20)32-18)5(2-21)33-17(7)30-3-6-9(23)11(25)13(27)16(29)31-6/h4-18,20-29H,1-3,19H2

InChIKey

GSVMXPZDCHWGCZ-UHFFFAOYSA-N

Compound name

6-[[3-amino-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

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]+	504.19231	213.6
[M+Na]+	526.17425	212.8
[M-H]-	502.17775	204.9
[M+NH4]+	521.21885	212.5
[M+K]+	542.14819	215.1
[M+H-H2O]+	486.18229	207.4
[M+HCOO]-	548.18323	214.9
[M+CH3COO]-	562.19888	219.5
[M+Na-2H]-	524.15970	239.0
[M]+	503.18448	210.9
[M]-	503.18558	210.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

504.19231

213.6

[M+Na]+

526.17425

212.8

[M-H]-

502.17775

204.9

[M+NH4]+

521.21885

212.5

[M+K]+

542.14819

215.1

[M+H-H2O]+

486.18229

207.4

[M+HCOO]-

548.18323

214.9

[M+CH3COO]-

562.19888

219.5

[M+Na-2H]-

524.15970

239.0

[M]+

503.18448

210.9

[M]-

503.18558

210.9

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

Beta-d-galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-d-glucopyranosyl-(1->6)-d-mannose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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