PubChemLite - Phosphoribosyl pyrophosphate (C5H13O14P3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1

InChIKey

PQGCEDQWHSBAJP-TXICZTDVSA-N

Compound name

[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] phosphono hydrogen 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]+	390.95908	179.4
[M+Na]+	412.94102	178.7
[M-H]-	388.94452	183.9
[M+NH4]+	407.98562	178.2
[M+K]+	428.91496	165.3
[M+H-H2O]+	372.94906	153.5
[M+HCOO]-	434.95000	201.7
[M+CH3COO]-	448.96565	202.0
[M+Na-2H]-	410.92647	161.2
[M]+	389.95125	175.6
[M]-	389.95235	175.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

390.95908

179.4

[M+Na]+

412.94102

178.7

[M-H]-

388.94452

183.9

[M+NH4]+

407.98562

178.2

[M+K]+

428.91496

165.3

[M+H-H2O]+

372.94906

153.5

[M+HCOO]-

434.95000

201.7

[M+CH3COO]-

448.96565

202.0

[M+Na-2H]-

410.92647

161.2

[M]+

389.95125

175.6

[M]-

389.95235

175.6

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

Phosphoribosyl pyrophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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