CID 87984

N-(2-aminoethyl)-n-ethyl-m-toluidine

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CCN(CCN)C1=CC=CC(=C1)C

InChI

InChI=1S/C11H18N2/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8,12H2,1-2H3

InChIKey

FTMVEUXYYDLYFH-UHFFFAOYSA-N

Compound name

N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 125
Patents: 178.147 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]+	179.15428	141.5
[M+Na]+	201.13622	152.8
[M+NH4]+	196.18082	150.5
[M+K]+	217.11016	145.9
[M-H]-	177.13972	145.6
[M+Na-2H]-	199.12167	148.7
[M]+	178.14645	144.2
[M]-	178.14755	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe