CID 13611

5-aminouracil

Structural Information

Molecular Formula

C₄H₅N₃O₂

SMILES

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

InChI

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

InChIKey

BISHACNKZIBDFM-UHFFFAOYSA-N

Compound name

5-amino-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 33
References: 2829
Patents: 127.03818 Da
Monoisotopic Mass: -1.5
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	120.8
[M+Na]+	150.02740	132.4
[M+NH4]+	145.07200	127.0
[M+K]+	166.00134	128.5
[M-H]-	126.03090	120.1
[M+Na-2H]-	148.01285	126.2
[M]+	127.03763	121.8
[M]-	127.03873	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe