CID 7131766

[2-(3-chlorophenoxy)ethyl](methyl)amine

Structural Information

Molecular Formula

C₉H₁₂ClNO

SMILES

CNCCOC1=CC(=CC=C1)Cl

InChI

InChI=1S/C9H12ClNO/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7,11H,5-6H2,1H3

InChIKey

ZLHBSKXCIBNODG-UHFFFAOYSA-N

Compound name

2-(3-chlorophenoxy)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 185.06075 Da
Monoisotopic Mass: 2.6
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]+	186.068026	137.3
[M+Na]+	208.049968	145.5
[M-H]-	184.053474	140.8
[M+NH4]+	203.094573	157.9
[M+K]+	224.023908	142.0
[M+H-H2O]+	168.058010	132.2
[M+HCOO]-	230.058951	158.5
[M+CH3COO]-	244.074601	183.1
[M+Na-2H]-	206.035416	144.6
[M]+	185.06020142	140.2
[M]-	185.06129858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe