CID 88988

21647-84-7

Structural Information

Molecular Formula

C₉H₁₃ClN₂

SMILES

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

InChI

InChI=1S/C9H13ClN2/c1-12(7-6-11)9-4-2-8(10)3-5-9/h2-5H,6-7,11H2,1H3

InChIKey

NEUAPOAFUOOCQR-UHFFFAOYSA-N

Compound name

N'-(4-chlorophenyl)-N'-methylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 184.07672 Da
Monoisotopic Mass: 1.7
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]+	185.083996	139.5
[M+Na]+	207.065938	147.1
[M-H]-	183.069444	144.0
[M+NH4]+	202.110543	160.3
[M+K]+	223.039878	144.0
[M+H-H2O]+	167.073980	134.0
[M+HCOO]-	229.074921	161.4
[M+CH3COO]-	243.090571	188.8
[M+Na-2H]-	205.051386	145.1
[M]+	184.07617142	140.6
[M]-	184.07726858	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe