CID 12861862

N-(2-aminoethyl)-n-benzyl-n-ethylamine

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CCN(CCN)CC1=CC=CC=C1

InChI

InChI=1S/C11H18N2/c1-2-13(9-8-12)10-11-6-4-3-5-7-11/h3-7H,2,8-10,12H2,1H3

InChIKey

CMMJQXIVCKIUMN-UHFFFAOYSA-N

Compound name

N'-benzyl-N'-ethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 178.147 Da
Monoisotopic Mass: 1.2
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	141.8
[M+Na]+	201.13622	152.7
[M+NH4]+	196.18082	150.8
[M+K]+	217.11016	145.6
[M-H]-	177.13972	145.8
[M+Na-2H]-	199.12167	149.2
[M]+	178.14645	144.4
[M]-	178.14755	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe