CID 1201440

4-aminopyrimidine-5-carboxylic acid

Structural Information

Molecular Formula

C₅H₅N₃O₂

SMILES

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

InChI

InChI=1S/C5H5N3O2/c6-4-3(5(9)10)1-7-2-8-4/h1-2H,(H,9,10)(H2,6,7,8)

InChIKey

ZUBDZQFROMAIPT-UHFFFAOYSA-N

Compound name

4-aminopyrimidine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 145
Patents: 139.03818 Da
Monoisotopic Mass: -0.1
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]+	140.04546	125.0
[M+Na]+	162.02740	136.3
[M+NH4]+	157.07200	131.6
[M+K]+	178.00134	132.6
[M-H]-	138.03090	124.9
[M+Na-2H]-	160.01285	130.8
[M]+	139.03763	126.2
[M]-	139.03873	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe