CID 7064114

N-(2-aminoethyl)-n-methylaniline

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CN(CCN)C1=CC=CC=C1

InChI

InChI=1S/C9H14N2/c1-11(8-7-10)9-5-3-2-4-6-9/h2-6H,7-8,10H2,1H3

InChIKey

GCGMQDJOIHALPF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 150.11569 Da
Monoisotopic Mass: 1.1
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]+	151.122966	132.4
[M+Na]+	173.104908	138.2
[M-H]-	149.108414	136.8
[M+NH4]+	168.149513	153.4
[M+K]+	189.078848	137.3
[M+H-H2O]+	133.112950	125.9
[M+HCOO]-	195.113891	158.9
[M+CH3COO]-	209.129541	183.9
[M+Na-2H]-	171.090356	139.4
[M]+	150.11514142	131.0
[M]-	150.11623858	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe