CID 74040

4-(chloroacetyl)morpholine

Structural Information

Molecular Formula

C₆H₁₀ClNO₂

SMILES

C1COCCN1C(=O)CCl

InChI

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

InChIKey

YMQRPXBBBOXHNZ-UHFFFAOYSA-N

Compound name

2-chloro-1-morpholin-4-ylethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1956
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]+	164.047286	131.5
[M+Na]+	186.029228	137.8
[M-H]-	162.032734	133.5
[M+NH4]+	181.073833	150.0
[M+K]+	202.003168	137.2
[M+H-H2O]+	146.037270	125.9
[M+HCOO]-	208.038211	145.5
[M+CH3COO]-	222.053861	173.1
[M+Na-2H]-	184.014676	137.5
[M]+	163.03946142	130.4
[M]-	163.04055858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe