CID 15287401

4-(2-chloroethyl)morpholin-3-one

Structural Information

Molecular Formula

C₆H₁₀ClNO₂

SMILES

C1COCC(=O)N1CCCl

InChI

InChI=1S/C6H10ClNO2/c7-1-2-8-3-4-10-5-6(8)9/h1-5H2

InChIKey

RZXPWTTVDMZISW-UHFFFAOYSA-N

Compound name

4-(2-chloroethyl)morpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 163.04001 Da
Monoisotopic Mass: 0.0
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]+	164.04729	130.9
[M+Na]+	186.02923	138.4
[M-H]-	162.03273	133.1
[M+NH4]+	181.07383	149.7
[M+K]+	202.00317	137.3
[M+H-H2O]+	146.03727	125.5
[M+HCOO]-	208.03821	145.8
[M+CH3COO]-	222.05386	174.1
[M+Na-2H]-	184.01468	137.4
[M]+	163.03946	130.8
[M]-	163.04056	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe