CID 78346

Pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula

C₅H₄N₂O₂

SMILES

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

InChI

InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)

InChIKey

IIVUJUOJERNGQX-UHFFFAOYSA-N

Compound name

pyrimidine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 3327
Patents: 124.027275 Da
Monoisotopic Mass: -0.3
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]+	125.03455	121.4
[M+Na]+	147.01649	133.9
[M+NH4]+	142.06110	128.7
[M+K]+	162.99043	129.3
[M-H]-	123.02000	121.2
[M+Na-2H]-	145.00194	128.3
[M]+	124.02673	122.9
[M]-	124.02782	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe