PubChemLite - 5'-phosphoribosyl-n-formylglycinamidine (C8H16N3O8P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1

InChIKey

PMCOGCVKOAOZQM-XVFCMESISA-N

Compound name

[(2R,3S,4R,5R)-5-[(1-amino-2-formamidoethylidene)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]+	314.07478	162.1
[M+Na]+	336.05672	165.1
[M-H]-	312.06022	160.4
[M+NH4]+	331.10132	173.7
[M+K]+	352.03066	166.1
[M+H-H2O]+	296.06476	153.6
[M+HCOO]-	358.06570	185.9
[M+CH3COO]-	372.08135	204.4
[M+Na-2H]-	334.04217	162.5
[M]+	313.06695	161.1
[M]-	313.06805	161.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

314.07478

162.1

[M+Na]+

336.05672

165.1

[M-H]-

312.06022

160.4

[M+NH4]+

331.10132

173.7

[M+K]+

352.03066

166.1

[M+H-H2O]+

296.06476

153.6

[M+HCOO]-

358.06570

185.9

[M+CH3COO]-

372.08135

204.4

[M+Na-2H]-

334.04217

162.5

[M]+

313.06695

161.1

[M]-

313.06805

161.1

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

5'-phosphoribosyl-n-formylglycinamidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe