CID 3159637

87166-64-1

Structural Information

Molecular Formula

C₅H₅N₃O₃

SMILES

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

InChI

InChI=1S/C5H5N3O3/c6-3-2(1-9)4(10)8-5(11)7-3/h1H,(H4,6,7,8,10,11)

InChIKey

ATJXOYWILMXBMV-UHFFFAOYSA-N

Compound name

6-amino-2,4-dioxo-1H-pyrimidine-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 155.0331 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]+	156.04038	127.8
[M+Na]+	178.02232	139.1
[M+NH4]+	173.06692	132.9
[M+K]+	193.99626	135.7
[M-H]-	154.02582	126.4
[M+Na-2H]-	176.00777	132.0
[M]+	155.03255	128.4
[M]-	155.03365	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe