CID 3158580

[2-amino-1-(2-chlorophenyl)ethyl]dimethylamine

Structural Information

Molecular Formula

C₁₀H₁₅ClN₂

SMILES

CN(C)C(CN)C1=CC=CC=C1Cl

InChI

InChI=1S/C10H15ClN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,7,12H2,1-2H3

InChIKey

JXJCCQYPULQIKT-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-N,N-dimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 19
Patents: 198.09238 Da
Monoisotopic Mass: 1.5
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]+	199.09966	143.3
[M+Na]+	221.08160	155.3
[M+NH4]+	216.12620	152.6
[M+K]+	237.05554	148.6
[M-H]-	197.08510	147.2
[M+Na-2H]-	219.06705	150.4
[M]+	198.09183	146.3
[M]-	198.09293	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe