CID 2292822

6594-67-8

Structural Information

Molecular Formula

C₉H₁₂ClNO

SMILES

C1=CC=C(C(=C1)COCCN)Cl

InChI

InChI=1S/C9H12ClNO/c10-9-4-2-1-3-8(9)7-12-6-5-11/h1-4H,5-7,11H2

InChIKey

IRWUCQHJHZCQST-UHFFFAOYSA-N

Compound name

2-[(2-chlorophenyl)methoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 185.06075 Da
Monoisotopic Mass: 1.3
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]+	186.068026	137.8
[M+Na]+	208.049968	146.0
[M-H]-	184.053474	140.8
[M+NH4]+	203.094573	158.2
[M+K]+	224.023908	142.2
[M+H-H2O]+	168.058010	132.7
[M+HCOO]-	230.058951	158.4
[M+CH3COO]-	244.074601	182.4
[M+Na-2H]-	206.035416	144.0
[M]+	185.06020142	139.7
[M]-	185.06129858	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe