PubChemLite - 5'-phosphoribosyl-n-formylglycinamide (C8H15N2O9P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1

InChIKey

VDXLUNDMVKSKHO-XVFCMESISA-N

Compound name

[(2R,3S,4R,5R)-5-[(2-formamidoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl 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]+	315.05878	165.1
[M+Na]+	337.04072	166.1
[M+NH4]+	332.08532	165.2
[M+K]+	353.01466	170.9
[M-H]-	313.04422	160.1
[M+Na-2H]-	335.02617	160.4
[M]+	314.05095	162.5
[M]-	314.05205	162.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

315.05878

165.1

[M+Na]+

337.04072

166.1

[M+NH4]+

332.08532

165.2

[M+K]+

353.01466

170.9

[M-H]-

313.04422

160.1

[M+Na-2H]-

335.02617

160.4

[M]+

314.05095

162.5

[M]-

314.05205

162.5

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

5'-phosphoribosyl-n-formylglycinamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe