CID 65023680

[2-(2-chloroethoxy)ethyl](methyl)amine hydrochloride

Structural Information

Molecular Formula

C₅H₁₂ClNO

SMILES

CNCCOCCCl

InChI

InChI=1S/C5H12ClNO/c1-7-3-5-8-4-2-6/h7H,2-5H2,1H3

InChIKey

WVUFNUKAPAOJJE-UHFFFAOYSA-N

Compound name

2-(2-chloroethoxy)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 137.06075 Da
Monoisotopic Mass: 0.2
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]+	138.06803	127.2
[M+Na]+	160.04997	134.6
[M-H]-	136.05347	127.3
[M+NH4]+	155.09457	149.6
[M+K]+	176.02391	132.9
[M+H-H2O]+	120.05801	123.3
[M+HCOO]-	182.05895	148.0
[M+CH3COO]-	196.07460	174.9
[M+Na-2H]-	158.03542	134.5
[M]+	137.06020	130.4
[M]-	137.06130	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe