CID 12626245

Pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula

C₅H₄N₂O₂

SMILES

C1=CN=C(N=C1)C(=O)O

InChI

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

InChIKey

ZFCHNZDUMIOWFV-UHFFFAOYSA-N

Compound name

pyrimidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 17
References: 5606
Patents: 124.027275 Da
Monoisotopic Mass: -0.5
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]+	125.034551	120.5
[M+Na]+	147.016493	129.2
[M-H]-	123.019999	120.4
[M+NH4]+	142.061098	139.1
[M+K]+	162.990433	128.0
[M+H-H2O]+	107.024535	113.9
[M+HCOO]-	169.025476	141.9
[M+CH3COO]-	183.041126	166.0
[M+Na-2H]-	145.001941	129.3
[M]+	124.02672642	119.6
[M]-	124.02782358	119.6

Literature stripe

literature stripe

Patent stripe

patents stripe