PubChemLite - 8-hydroxyguanosine (C10H13N5O6)

Structural Information

Molecular Formula

SMILES

C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O

InChI

InChI=1S/C10H13N5O6/c11-9-13-6-3(7(19)14-9)12-10(20)15(6)8-5(18)4(17)2(1-16)21-8/h2,4-5,8,16-18H,1H2,(H,12,20)(H3,11,13,14,19)/t2-,4-,5-,8-/m1/s1

InChIKey

FPGSEBKFEJEOSA-UMMCILCDSA-N

Compound name

2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione

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]+	300.09386	165.3
[M+Na]+	322.07580	173.8
[M+NH4]+	317.12040	167.2
[M+K]+	338.04974	177.7
[M-H]-	298.07930	163.4
[M+Na-2H]-	320.06125	163.9
[M]+	299.08603	165.1
[M]-	299.08713	165.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

300.09386

165.3

[M+Na]+

322.07580

173.8

[M+NH4]+

317.12040

167.2

[M+K]+

338.04974

177.7

[M-H]-

298.07930

163.4

[M+Na-2H]-

320.06125

163.9

[M]+

299.08603

165.1

[M]-

299.08713

165.1

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

8-hydroxyguanosine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe