CID 20065

2-chloro-n-methyl-3-oxobutanamide

Structural Information

Molecular Formula

C₅H₈ClNO₂

SMILES

CC(=O)C(C(=O)NC)Cl

InChI

InChI=1S/C5H8ClNO2/c1-3(8)4(6)5(9)7-2/h4H,1-2H3,(H,7,9)

InChIKey

XIWMZCRVSYHMER-UHFFFAOYSA-N

Compound name

2-chloro-N-methyl-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 90
Patents: 149.02435 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]+	150.03163	128.1
[M+Na]+	172.01357	137.5
[M+NH4]+	167.05817	135.3
[M+K]+	187.98751	133.7
[M-H]-	148.01707	126.8
[M+Na-2H]-	169.99902	131.0
[M]+	149.02380	128.9
[M]-	149.02490	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe