CID 2794191

106038-00-0

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

C1=CC(=CC=C1OCCN)Cl

InChI

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

InChIKey

KSHXAAXEJWSEND-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 188
Patents: 171.04509 Da
Monoisotopic Mass: 1.6
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]+	172.05237	132.1
[M+Na]+	194.03431	145.5
[M+NH4]+	189.07891	141.6
[M+K]+	210.00825	138.1
[M-H]-	170.03781	135.2
[M+Na-2H]-	192.01976	139.9
[M]+	171.04454	135.2
[M]-	171.04564	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe