CID 56770225

2137757-59-4

Structural Information

Molecular Formula

C₉H₁₄N₄O₂

SMILES

CN1C(=O)C=C(NC1=O)N2CCC(C2)N

InChI

InChI=1S/C9H14N4O2/c1-12-8(14)4-7(11-9(12)15)13-3-2-6(10)5-13/h4,6H,2-3,5,10H2,1H3,(H,11,15)

InChIKey

UGJRXUBHLURIGO-UHFFFAOYSA-N

Compound name

6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.11168 Da
Monoisotopic Mass: -1.2
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]+	211.118956	145.6
[M+Na]+	233.100898	155.1
[M-H]-	209.104404	147.5
[M+NH4]+	228.145503	161.4
[M+K]+	249.074838	151.1
[M+H-H2O]+	193.108940	137.5
[M+HCOO]-	255.109881	165.2
[M+CH3COO]-	269.125531	185.0
[M+Na-2H]-	231.086346	147.6
[M]+	210.11113142	141.9
[M]-	210.11222858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.