PubChemLite - 2-oxo-amp(2-) (C10H14N5O8P)

Structural Information

Molecular Formula

SMILES

C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

InChI

InChI=1S/C10H14N5O8P/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

InChIKey

CGCGQFDYTLYDPF-UUOKFMHZSA-N

Compound name

[(2R,3S,4R,5R)-5-(6-amino-2-oxo-1H-purin-9-yl)-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]+	364.06528	175.8
[M+Na]+	386.04722	183.2
[M-H]-	362.05072	173.2
[M+NH4]+	381.09182	182.5
[M+K]+	402.02116	182.1
[M+H-H2O]+	346.05526	166.7
[M+HCOO]-	408.05620	192.3
[M+CH3COO]-	422.07185	205.6
[M+Na-2H]-	384.03267	174.9
[M]+	363.05745	176.1
[M]-	363.05855	176.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

364.06528

175.8

[M+Na]+

386.04722

183.2

[M-H]-

362.05072

173.2

[M+NH4]+

381.09182

182.5

[M+K]+

402.02116

182.1

[M+H-H2O]+

346.05526

166.7

[M+HCOO]-

408.05620

192.3

[M+CH3COO]-

422.07185

205.6

[M+Na-2H]-

384.03267

174.9

[M]+

363.05745

176.1

[M]-

363.05855

176.1

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

2-oxo-amp(2-)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe