CID 6484627

463929-54-6

Structural Information

Molecular Formula

C₉H₁₂N₂O₃

SMILES

CC1=CC(=NC(=O)N1CCC(=O)O)C

InChI

InChI=1S/C9H12N2O3/c1-6-5-7(2)11(9(14)10-6)4-3-8(12)13/h5H,3-4H2,1-2H3,(H,12,13)

InChIKey

YABWUHTZYHYWMR-UHFFFAOYSA-N

Compound name

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 196.0848 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]+	197.09208	141.5
[M+Na]+	219.07402	153.9
[M+NH4]+	214.11862	147.3
[M+K]+	235.04796	149.4
[M-H]-	195.07752	140.6
[M+Na-2H]-	217.05947	146.0
[M]+	196.08425	142.7
[M]-	196.08535	142.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.