CID 135473670

6973-52-0

Structural Information

Molecular Formula

C₅H₅N₃O₃

SMILES

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

InChI

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

InChIKey

XQYZBNZSWAVQJZ-UHFFFAOYSA-N

Compound name

2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 155.0331 Da
Monoisotopic Mass: -1.6
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	127.9
[M+Na]+	178.02232	137.3
[M-H]-	154.02582	126.7
[M+NH4]+	173.06692	144.4
[M+K]+	193.99626	134.7
[M+H-H2O]+	138.03036	121.4
[M+HCOO]-	200.03130	148.5
[M+CH3COO]-	214.04695	171.7
[M+Na-2H]-	176.00777	133.8
[M]+	155.03255	124.9
[M]-	155.03365	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe