CID 293729

5-amino-4,6-dihydroxypyrimidine

Structural Information

Molecular Formula

C₄H₅N₃O₂

SMILES

C1=NC(=C(C(=O)N1)N)O

InChI

InChI=1S/C4H5N3O2/c5-2-3(8)6-1-7-4(2)9/h1H,5H2,(H2,6,7,8,9)

InChIKey

YKHPWCZPESTMRF-UHFFFAOYSA-N

Compound name

5-amino-4-hydroxy-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 127.03818 Da
Monoisotopic Mass: -1.3
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	121.1
[M+Na]+	150.02740	132.7
[M+NH4]+	145.07200	127.6
[M+K]+	166.00134	129.0
[M-H]-	126.03090	120.8
[M+Na-2H]-	148.01285	126.7
[M]+	127.03763	122.3
[M]-	127.03873	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe