CID 81206

6711-46-2

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CN(C)CCNC1=CC=CC=C1

InChI

InChI=1S/C10H16N2/c1-12(2)9-8-11-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3

InChIKey

FRCVOKAWJJIJHQ-UHFFFAOYSA-N

Compound name

N',N'-dimethyl-N-phenylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 142
Patents: 164.13135 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]+	165.138626	136.6
[M+Na]+	187.120568	142.0
[M-H]-	163.124074	141.3
[M+NH4]+	182.165173	157.3
[M+K]+	203.094508	141.2
[M+H-H2O]+	147.128610	129.8
[M+HCOO]-	209.129551	163.4
[M+CH3COO]-	223.145201	187.6
[M+Na-2H]-	185.106016	144.1
[M]+	164.13080142	136.6
[M]-	164.13189858	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe