CID 45616

63938-77-2

Structural Information

Molecular Formula

C₁₁H₁₆ClNO

SMILES

CC1=CC=CC=C1OCCNCCCl

InChI

InChI=1S/C11H16ClNO/c1-10-4-2-3-5-11(10)14-9-8-13-7-6-12/h2-5,13H,6-9H2,1H3

InChIKey

RRWKWOAWYXQGNE-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-2-(2-methylphenoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.09204 Da
Monoisotopic Mass: 2.9
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]+	214.099316	146.6
[M+Na]+	236.081258	154.0
[M-H]-	212.084764	149.8
[M+NH4]+	231.125863	166.1
[M+K]+	252.055198	150.0
[M+H-H2O]+	196.089300	141.1
[M+HCOO]-	258.090241	167.2
[M+CH3COO]-	272.105891	189.2
[M+Na-2H]-	234.066706	152.8
[M]+	213.09149142	150.3
[M]-	213.09258858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.