CID 14245331

2-(3-chlorophenoxy)ethylamine

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

C1=CC(=CC(=C1)Cl)OCCN

InChI

InChI=1S/C8H10ClNO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,4-5,10H2

InChIKey

SKLZUIZCCAYHOB-UHFFFAOYSA-N

Compound name

2-(3-chlorophenoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 171.04509 Da
Monoisotopic Mass: 2.0
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]+	172.05237	133.1
[M+Na]+	194.03431	141.8
[M-H]-	170.03781	136.3
[M+NH4]+	189.07891	154.0
[M+K]+	210.00825	138.2
[M+H-H2O]+	154.04235	128.3
[M+HCOO]-	216.04329	154.1
[M+CH3COO]-	230.05894	179.4
[M+Na-2H]-	192.01976	139.9
[M]+	171.04454	134.7
[M]-	171.04564	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe