CID 5743371

14493-37-9

Structural Information

Molecular Formula

C₄H₅N₃O₂

SMILES

C1=CN(C(=O)NC1=O)N

InChI

InChI=1S/C4H5N3O2/c5-7-2-1-3(8)6-4(7)9/h1-2H,5H2,(H,6,8,9)

InChIKey

IILMINFWXULDNN-UHFFFAOYSA-N

Compound name

1-aminopyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 765
Patents: 127.03818 Da
Monoisotopic Mass: -1.9
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]+	128.04546	120.4
[M+Na]+	150.02740	132.6
[M+NH4]+	145.07200	126.9
[M+K]+	166.00134	128.4
[M-H]-	126.03090	120.3
[M+Na-2H]-	148.01285	126.4
[M]+	127.03763	121.7
[M]-	127.03873	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe