CID 73018

5-aminoorotic acid

Structural Information

Molecular Formula

C₅H₅N₃O₄

SMILES

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

InChI

InChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)

InChIKey

HWCXJKLFOSBVLH-UHFFFAOYSA-N

Compound name

5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 385
Patents: 171.028 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]+	172.03528	131.3
[M+Na]+	194.01722	141.3
[M+NH4]+	189.06182	135.4
[M+K]+	209.99116	139.5
[M-H]-	170.02072	128.7
[M+Na-2H]-	192.00267	134.1
[M]+	171.02745	131.3
[M]-	171.02855	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe