CID 23618221

2-chloro-n-ethyl-3-oxobutanamide

Structural Information

Molecular Formula

C₆H₁₀ClNO₂

SMILES

CCNC(=O)C(C(=O)C)Cl

InChI

InChI=1S/C6H10ClNO2/c1-3-8-6(10)5(7)4(2)9/h5H,3H2,1-2H3,(H,8,10)

InChIKey

JFSWYPKLWHGUDT-UHFFFAOYSA-N

Compound name

2-chloro-N-ethyl-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 163.04001 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]+	164.047286	132.6
[M+Na]+	186.029228	139.7
[M-H]-	162.032734	133.0
[M+NH4]+	181.073833	153.8
[M+K]+	202.003168	138.3
[M+H-H2O]+	146.037270	128.9
[M+HCOO]-	208.038211	150.9
[M+CH3COO]-	222.053861	179.8
[M+Na-2H]-	184.014676	135.7
[M]+	163.03946142	134.4
[M]-	163.04055858	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe