CID 452404

3,5-diohpentylcytosine

Structural Information

Molecular Formula

C₉H₁₅N₃O₃

SMILES

C1=CN(C(=O)N=C1N)CCC(CCO)O

InChI

InChI=1S/C9H15N3O3/c10-8-2-5-12(9(15)11-8)4-1-7(14)3-6-13/h2,5,7,13-14H,1,3-4,6H2,(H2,10,11,15)

InChIKey

QOKXRDKHZOBSCT-UHFFFAOYSA-N

Compound name

4-amino-1-(3,5-dihydroxypentyl)pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 213.11134 Da
Monoisotopic Mass: -1.7
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]+	214.11862	146.9
[M+Na]+	236.10056	154.3
[M-H]-	212.10406	144.9
[M+NH4]+	231.14516	161.2
[M+K]+	252.07450	151.3
[M+H-H2O]+	196.10860	139.5
[M+HCOO]-	258.10954	166.0
[M+CH3COO]-	272.12519	184.7
[M+Na-2H]-	234.08601	150.7
[M]+	213.11079	146.0
[M]-	213.11189	146.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.