PubChemLite - 5-hydroxyuridine 5'-phosphate (C9H13N2O10P)

Structural Information

Molecular Formula

SMILES

C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O

InChI

InChI=1S/C9H13N2O10P/c12-3-1-11(9(16)10-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,12-14H,2H2,(H,10,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1

InChIKey

YGRIIPJUCYYPFJ-UAKXSSHOSA-N

Compound name

[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-hydroxy-2,4-dioxopyrimidin-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	166.9
[M+Na]+	363.02002	173.8
[M-H]-	339.02352	163.9
[M+NH4]+	358.06462	174.2
[M+K]+	378.99396	173.2
[M+H-H2O]+	323.02806	158.3
[M+HCOO]-	385.02900	183.3
[M+CH3COO]-	399.04465	196.1
[M+Na-2H]-	361.00547	166.1
[M]+	340.03025	167.3
[M]-	340.03135	167.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

341.03808

166.9

[M+Na]+

363.02002

173.8

[M-H]-

339.02352

163.9

[M+NH4]+

358.06462

174.2

[M+K]+

378.99396

173.2

[M+H-H2O]+

323.02806

158.3

[M+HCOO]-

385.02900

183.3

[M+CH3COO]-

399.04465

196.1

[M+Na-2H]-

361.00547

166.1

[M]+

340.03025

167.3

[M]-

340.03135

167.3

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

5-hydroxyuridine 5'-phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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