CID 21486

5388-82-9

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

C1CC1NCCOC2=CC=CC=C2Cl

InChI

InChI=1S/C11H14ClNO/c12-10-3-1-2-4-11(10)14-8-7-13-9-5-6-9/h1-4,9,13H,5-8H2

InChIKey

MUWKAPGYHBLRER-UHFFFAOYSA-N

Compound name

N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 35
Patents: 211.07639 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]+	212.08367	140.7
[M+Na]+	234.06561	149.7
[M-H]-	210.06911	147.8
[M+NH4]+	229.11021	155.3
[M+K]+	250.03955	145.1
[M+H-H2O]+	194.07365	134.5
[M+HCOO]-	256.07459	161.9
[M+CH3COO]-	270.09024	190.6
[M+Na-2H]-	232.05106	147.6
[M]+	211.07584	145.4
[M]-	211.07694	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe