CID 453157

132198-20-0

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃

SMILES

C1C=C[C@H](O[C@H]1N2C=CC(=NC2=O)N)CO

InChI

InChI=1S/C10H13N3O3/c11-8-4-5-13(10(15)12-8)9-3-1-2-7(6-14)16-9/h1-2,4-5,7,9,14H,3,6H2,(H2,11,12,15)/t7-,9+/m0/s1

InChIKey

XCGYEIVKJJFVIP-IONNQARKSA-N

Compound name

4-amino-1-[(2R,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-2-yl]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 223.09569 Da
Monoisotopic Mass: -1.1
XlogP (predicted)

Profile

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]+	224.102966	148.8
[M+Na]+	246.084908	156.9
[M-H]-	222.088414	152.1
[M+NH4]+	241.129513	161.9
[M+K]+	262.058848	154.6
[M+H-H2O]+	206.092950	140.3
[M+HCOO]-	268.093891	167.8
[M+CH3COO]-	282.109541	187.1
[M+Na-2H]-	244.070356	154.4
[M]+	223.09514142	146.5
[M]-	223.09623858	146.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.