CID 5261950

2-(4-chlorophenoxy)-n,n-dimethylethanamine

Structural Information

Molecular Formula

C₁₀H₁₄ClNO

SMILES

CN(C)CCOC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H14ClNO/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8H2,1-2H3

InChIKey

KKPXBCIAUAJAHE-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 199.07639 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]+	200.083666	141.9
[M+Na]+	222.065608	149.9
[M-H]-	198.069114	146.8
[M+NH4]+	217.110213	162.7
[M+K]+	238.039548	147.5
[M+H-H2O]+	182.073650	136.4
[M+HCOO]-	244.074591	163.3
[M+CH3COO]-	258.090241	189.7
[M+Na-2H]-	220.051056	147.9
[M]+	199.07584142	146.5
[M]-	199.07693858	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe