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	165.4
[M+Na]+	362.98528	166.9
[M+NH4]+	358.02988	164.1
[M+K]+	378.95922	172.6
[M-H]-	338.98878	157.4
[M+Na-2H]-	360.97073	159.2
[M]+	339.99551	162.1
[M]-	339.99661	162.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

341.00334

165.4

[M+Na]+

362.98528

166.9

[M+NH4]+

358.02988

164.1

[M+K]+

378.95922

172.6

[M-H]-

338.98878

157.4

[M+Na-2H]-

360.97073

159.2

[M]+

339.99551

162.1

[M]-

339.99661

162.1

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

Patent stripe