CID 61211

N-benzyl-n-ethylethanamine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CCN(CC)CC1=CC=CC=C1

InChI

InChI=1S/C11H17N/c1-3-12(4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3

InChIKey

ZWRDBWDXRLPESY-UHFFFAOYSA-N

Compound name

N-benzyl-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 8265
Patents: 163.1361 Da
Monoisotopic Mass: 2.7
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]+	164.14338	137.5
[M+Na]+	186.12532	150.0
[M+NH4]+	181.16992	147.2
[M+K]+	202.09926	142.3
[M-H]-	162.12882	141.5
[M+Na-2H]-	184.11077	145.7
[M]+	163.13555	140.4
[M]-	163.13665	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe