CID 249238

3-oxo-n-(pyrimidin-2-yl)butanamide

Structural Information

Molecular Formula

C₈H₉N₃O₂

SMILES

CC(=O)CC(=O)NC1=NC=CC=N1

InChI

InChI=1S/C8H9N3O2/c1-6(12)5-7(13)11-8-9-3-2-4-10-8/h2-4H,5H2,1H3,(H,9,10,11,13)

InChIKey

HJCURYUYALHXRK-UHFFFAOYSA-N

Compound name

3-oxo-N-pyrimidin-2-ylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 179.06947 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]+	180.07675	137.3
[M+Na]+	202.05869	148.1
[M+NH4]+	197.10329	143.5
[M+K]+	218.03263	143.7
[M-H]-	178.06219	137.2
[M+Na-2H]-	200.04414	143.2
[M]+	179.06892	138.4
[M]-	179.07002	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe