CID 391265

Nsc690204

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₃

SMILES

CC1(CCC(O1)N2C=CC(=NC2=O)N)CO

InChI

InChI=1S/C10H15N3O3/c1-10(6-14)4-2-8(16-10)13-5-3-7(11)12-9(13)15/h3,5,8,14H,2,4,6H2,1H3,(H2,11,12,15)

InChIKey

GWXVBPBERJHUKV-UHFFFAOYSA-N

Compound name

4-amino-1-[5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 225.11134 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]+	226.118616	147.3
[M+Na]+	248.100558	156.2
[M-H]-	224.104064	151.0
[M+NH4]+	243.145163	164.3
[M+K]+	264.074498	154.4
[M+H-H2O]+	208.108600	140.3
[M+HCOO]-	270.109541	167.1
[M+CH3COO]-	284.125191	186.4
[M+Na-2H]-	246.086006	151.8
[M]+	225.11079142	146.2
[M]-	225.11188858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe