CID 22281805

40769-70-8

Structural Information

Molecular Formula

C₅H₅N₃O₃

SMILES

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

InChI

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

InChIKey

GBADBFAXAWZGHM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 155.0331 Da
Monoisotopic Mass: -1.0
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

No literature data available for this compound.

Patent stripe

patents stripe