CID 3798106

851169-07-8

Structural Information

Molecular Formula

C₁₂H₁₉ClN₂

SMILES

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

InChI

InChI=1S/C12H19ClN2/c1-3-15(4-2)12(9-14)10-7-5-6-8-11(10)13/h5-8,12H,3-4,9,14H2,1-2H3

InChIKey

HBCFIRRZLOLLOX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 226.12367 Da
Monoisotopic Mass: 2.2
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]+	227.130946	153.9
[M+Na]+	249.112888	160.0
[M-H]-	225.116394	157.9
[M+NH4]+	244.157493	172.9
[M+K]+	265.086828	156.6
[M+H-H2O]+	209.120930	147.9
[M+HCOO]-	271.121871	173.8
[M+CH3COO]-	285.137521	198.7
[M+Na-2H]-	247.098336	156.6
[M]+	226.12312142	155.5
[M]-	226.12421858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe