CID 5151145

287179-98-0

Structural Information

Molecular Formula

C₉H₁₂ClNO

SMILES

C1=CC(=CC=C1COCCN)Cl

InChI

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

InChIKey

PAYJTSGVVHLHRQ-UHFFFAOYSA-N

Compound name

2-[(4-chlorophenyl)methoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	186.06803	136.7
[M+Na]+	208.04997	149.9
[M+NH4]+	203.09457	146.0
[M+K]+	224.02391	142.3
[M-H]-	184.05347	139.8
[M+Na-2H]-	206.03542	144.2
[M]+	185.06020	139.7
[M]-	185.06130	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe