CID 3359246

(3-aminobenzyl)diethylamine

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CCN(CC)CC1=CC(=CC=C1)N

InChI

InChI=1S/C11H18N2/c1-3-13(4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9,12H2,1-2H3

InChIKey

VGVXOXSRINSIFO-UHFFFAOYSA-N

Compound name

3-(diethylaminomethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 178.147 Da
Monoisotopic Mass: 1.4
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	141.6
[M+Na]+	201.13622	147.5
[M-H]-	177.13972	146.0
[M+NH4]+	196.18082	161.8
[M+K]+	217.11016	146.1
[M+H-H2O]+	161.14426	134.9
[M+HCOO]-	223.14520	167.4
[M+CH3COO]-	237.16085	191.1
[M+Na-2H]-	199.12167	146.7
[M]+	178.14645	141.3
[M]-	178.14755	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe