CID 2757644

7569-60-0

Structural Information

Molecular Formula

C₉H₁₂ClNO

SMILES

COC1=C(C=C(C=C1)CCN)Cl

InChI

InChI=1S/C9H12ClNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3

InChIKey

RRYLJVQKSZWVQA-UHFFFAOYSA-N

Compound name

2-(3-chloro-4-methoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 185.06075 Da
Monoisotopic Mass: 1.4
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	136.4
[M+Na]+	208.04997	150.0
[M+NH4]+	203.09457	145.7
[M+K]+	224.02391	142.6
[M-H]-	184.05347	139.5
[M+Na-2H]-	206.03542	143.7
[M]+	185.06020	139.5
[M]-	185.06130	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe