CID 16643595

[2-amino-2-(3,4-dichlorophenyl)ethyl]dimethylamine

Structural Information

Molecular Formula

C₁₀H₁₄Cl₂N₂

SMILES

CN(C)CC(C1=CC(=C(C=C1)Cl)Cl)N

InChI

InChI=1S/C10H14Cl2N2/c1-14(2)6-10(13)7-3-4-8(11)9(12)5-7/h3-5,10H,6,13H2,1-2H3

InChIKey

YOFLNTLVVZMXLU-UHFFFAOYSA-N

Compound name

1-(3,4-dichlorophenyl)-N',N'-dimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 232.0534 Da
Monoisotopic Mass: 2.7
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]+	233.060676	150.8
[M+Na]+	255.042618	159.0
[M-H]-	231.046124	154.7
[M+NH4]+	250.087223	170.2
[M+K]+	271.016558	154.6
[M+H-H2O]+	215.050660	146.3
[M+HCOO]-	277.051601	166.3
[M+CH3COO]-	291.067251	198.3
[M+Na-2H]-	253.028066	153.1
[M]+	232.05285142	153.1
[M]-	232.05394858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe