PubChemLite - 8-oxo-dgmp (C10H14N5O8P)

Structural Information

Molecular Formula

SMILES

C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O

InChI

InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1

InChIKey

AQIVLFLYHYFRKU-VPENINKCSA-N

Compound name

[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxyoxolan-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	175.6
[M+Na]+	386.04722	183.2
[M-H]-	362.05072	173.0
[M+NH4]+	381.09182	182.2
[M+K]+	402.02116	181.5
[M+H-H2O]+	346.05526	166.6
[M+HCOO]-	408.05620	192.3
[M+CH3COO]-	422.07185	205.0
[M+Na-2H]-	384.03267	174.6
[M]+	363.05745	175.2
[M]-	363.05855	175.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

364.06528

175.6

[M+Na]+

386.04722

183.2

[M-H]-

362.05072

173.0

[M+NH4]+

381.09182

182.2

[M+K]+

402.02116

181.5

[M+H-H2O]+

346.05526

166.6

[M+HCOO]-

408.05620

192.3

[M+CH3COO]-

422.07185

205.0

[M+Na-2H]-

384.03267

174.6

[M]+

363.05745

175.2

[M]-

363.05855

175.2

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

8-oxo-dgmp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe