PubChemLite - Alpha-d-glucose 1,6-bisphosphate (C6H14O12P2)

Structural Information

Molecular Formula

SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O

InChI

InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1

InChIKey

RWHOZGRAXYWRNX-VFUOTHLCSA-N

Compound name

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate

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]+	341.00334	166.2
[M+Na]+	362.98528	169.6
[M-H]-	338.98878	158.6
[M+NH4]+	358.02988	173.9
[M+K]+	378.95922	171.9
[M+H-H2O]+	322.99332	156.7
[M+HCOO]-	384.99426	184.9
[M+CH3COO]-	399.00991	194.8
[M+Na-2H]-	360.97073	167.5
[M]+	339.99551	166.8
[M]-	339.99661	166.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

341.00334

166.2

[M+Na]+

362.98528

169.6

[M-H]-

338.98878

158.6

[M+NH4]+

358.02988

173.9

[M+K]+

378.95922

171.9

[M+H-H2O]+

322.99332

156.7

[M+HCOO]-

384.99426

184.9

[M+CH3COO]-

399.00991

194.8

[M+Na-2H]-

360.97073

167.5

[M]+

339.99551

166.8

[M]-

339.99661

166.8

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

Alpha-d-glucose 1,6-bisphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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