PubChemLite - 5-hydroxymethylcytidine 5'-phosphate (C10H16N3O9P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C10H16N3O9P/c11-8-4(2-14)1-13(10(17)12-8)9-7(16)6(15)5(22-9)3-21-23(18,19)20/h1,5-7,9,14-16H,2-3H2,(H2,11,12,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1

InChIKey

KPUOHXMVCZBWQC-JXOAFFINSA-N

Compound name

[(2R,3S,4R,5R)-5-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-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]+	354.06968	174.8
[M+Na]+	376.05162	179.6
[M+NH4]+	371.09622	174.7
[M+K]+	392.02556	184.3
[M-H]-	352.05512	171.2
[M+Na-2H]-	374.03707	171.9
[M]+	353.06185	173.4
[M]-	353.06295	173.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

354.06968

174.8

[M+Na]+

376.05162

179.6

[M+NH4]+

371.09622

174.7

[M+K]+

392.02556

184.3

[M-H]-

352.05512

171.2

[M+Na-2H]-

374.03707

171.9

[M]+

353.06185

173.4

[M]-

353.06295

173.4

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

5-hydroxymethylcytidine 5'-phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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