CID 77213

3650-93-9

Structural Information

Molecular Formula

C₅H₅N₃O₃

SMILES

C1=NC(=O)NC(=C1C(=O)O)N

InChI

InChI=1S/C5H5N3O3/c6-3-2(4(9)10)1-7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)

InChIKey

BLQMCTXZEMGOJM-UHFFFAOYSA-N

Compound name

6-amino-2-oxo-1H-pyrimidine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 17
References: 2915
Patents: 155.0331 Da
Monoisotopic Mass: -0.9
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]+	156.04038	128.2
[M+Na]+	178.02232	138.8
[M+NH4]+	173.06692	133.5
[M+K]+	193.99626	136.1
[M-H]-	154.02582	126.8
[M+Na-2H]-	176.00777	132.5
[M]+	155.03255	128.7
[M]-	155.03365	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe