CID 90301

Uracil-5-carboxylate

Structural Information

Molecular Formula

C₅H₄N₂O₄

SMILES

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

InChI

InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)

InChIKey

ZXYAAVBXHKCJJB-UHFFFAOYSA-N

Compound name

2,4-dioxo-1H-pyrimidine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 28
References: 1662
Patents: 156.0171 Da
Monoisotopic Mass: -0.7
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]+	157.02438	127.7
[M+Na]+	179.00632	138.8
[M+NH4]+	174.05092	132.4
[M+K]+	194.98026	136.2
[M-H]-	155.00982	124.9
[M+Na-2H]-	176.99177	131.5
[M]+	156.01655	127.9
[M]-	156.01765	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe