PubChemLite - Inosine 2'-phosphate (C10H13N4O8P)

Structural Information

Molecular Formula

SMILES

C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O

InChI

InChI=1S/C10H13N4O8P/c15-1-4-6(16)7(22-23(18,19)20)10(21-4)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey

PGZVUSPTYXQADT-KQYNXXCUSA-N

Compound name

[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl] 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]+	349.05438	172.3
[M+Na]+	371.03632	179.3
[M+NH4]+	366.08092	173.0
[M+K]+	387.01026	185.0
[M-H]-	347.03982	168.3
[M+Na-2H]-	369.02177	170.6
[M]+	348.04655	171.2
[M]-	348.04765	171.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

349.05438

172.3

[M+Na]+

371.03632

179.3

[M+NH4]+

366.08092

173.0

[M+K]+

387.01026

185.0

[M-H]-

347.03982

168.3

[M+Na-2H]-

369.02177

170.6

[M]+

348.04655

171.2

[M]-

348.04765

171.2

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

Inosine 2'-phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe