CID 96140

4-(2-chloroethyl)thiomorpholine

Structural Information

Molecular Formula

C₆H₁₂ClNS

SMILES

C1CSCCN1CCCl

InChI

InChI=1S/C6H12ClNS/c7-1-2-8-3-5-9-6-4-8/h1-6H2

InChIKey

FZAWPBDFRQGFGZ-UHFFFAOYSA-N

Compound name

4-(2-chloroethyl)thiomorpholine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 144
Patents: 165.0379 Da
Monoisotopic Mass: 1.3
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]+	166.04518	131.4
[M+Na]+	188.02712	137.9
[M-H]-	164.03062	133.0
[M+NH4]+	183.07172	152.0
[M+K]+	204.00106	134.9
[M+H-H2O]+	148.03516	126.2
[M+HCOO]-	210.03610	141.5
[M+CH3COO]-	224.05175	173.9
[M+Na-2H]-	186.01257	134.3
[M]+	165.03735	130.3
[M]-	165.03845	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe