CID 5276913

4-amino-1-[(e)-4-hydroxy-3-methyl-but-2-enyl]pyrimidin-2-one

Structural Information

Molecular Formula

C₉H₁₃N₃O₂

SMILES

C/C(=C\CN1C=CC(=NC1=O)N)/CO

InChI

InChI=1S/C9H13N3O2/c1-7(6-13)2-4-12-5-3-8(10)11-9(12)14/h2-3,5,13H,4,6H2,1H3,(H2,10,11,14)/b7-2+

InChIKey

SDBYAKJJFCDAAT-FARCUNLSSA-N

Compound name

4-amino-1-[(E)-4-hydroxy-3-methylbut-2-enyl]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 195.10077 Da
Monoisotopic Mass: -0.9
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]+	196.108046	142.8
[M+Na]+	218.089988	151.2
[M-H]-	194.093494	142.3
[M+NH4]+	213.134593	158.6
[M+K]+	234.063928	147.9
[M+H-H2O]+	178.098030	135.5
[M+HCOO]-	240.098971	163.5
[M+CH3COO]-	254.114621	183.3
[M+Na-2H]-	216.075436	147.1
[M]+	195.10022142	141.6
[M]-	195.10131858	141.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.