CID 23004751

[3-(3-chlorophenoxy)propyl](methyl)amine

Structural Information

Molecular Formula

C₁₀H₁₄ClNO

SMILES

CNCCCOC1=CC(=CC=C1)Cl

InChI

InChI=1S/C10H14ClNO/c1-12-6-3-7-13-10-5-2-4-9(11)8-10/h2,4-5,8,12H,3,6-7H2,1H3

InChIKey

UICVFSKWBRBFRF-UHFFFAOYSA-N

Compound name

3-(3-chlorophenoxy)-N-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 199.07639 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]+	200.083666	141.9
[M+Na]+	222.065608	149.8
[M-H]-	198.069114	145.3
[M+NH4]+	217.110213	162.0
[M+K]+	238.039548	146.0
[M+H-H2O]+	182.073650	136.6
[M+HCOO]-	244.074591	162.9
[M+CH3COO]-	258.090241	186.1
[M+Na-2H]-	220.051056	148.7
[M]+	199.07584142	145.3
[M]-	199.07693858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe