PubChemLite - 6-oxouridine 5'-phosphate (C9H13N2O10P)

Structural Information

Molecular Formula

SMILES

C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

InChI

InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h3,6-8,14-15H,1-2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1

InChIKey

AODYJUNLDJOADV-YXZULKJRSA-N

Compound name

[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2,4,6-trioxo-1,3-diazinan-1-yl)oxolan-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]+	341.03808	166.7
[M+Na]+	363.02002	171.7
[M-H]-	339.02352	163.8
[M+NH4]+	358.06462	174.4
[M+K]+	378.99396	171.6
[M+H-H2O]+	323.02806	158.6
[M+HCOO]-	385.02900	180.7
[M+CH3COO]-	399.04465	198.4
[M+Na-2H]-	361.00547	164.4
[M]+	340.03025	164.4
[M]-	340.03135	164.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

341.03808

166.7

[M+Na]+

363.02002

171.7

[M-H]-

339.02352

163.8

[M+NH4]+

358.06462

174.4

[M+K]+

378.99396

171.6

[M+H-H2O]+

323.02806

158.6

[M+HCOO]-

385.02900

180.7

[M+CH3COO]-

399.04465

198.4

[M+Na-2H]-

361.00547

164.4

[M]+

340.03025

164.4

[M]-

340.03135

164.4

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

6-oxouridine 5'-phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe