CID 4193577

N-ethyl-n-isopropylaniline

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

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

InChI

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

InChIKey

LHGCJZLKSBOOTD-UHFFFAOYSA-N

Compound name

N-ethyl-N-propan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 127
Patents: 163.1361 Da
Monoisotopic Mass: 3.2
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]+	164.14338	137.7
[M+Na]+	186.12532	149.9
[M+NH4]+	181.16992	147.3
[M+K]+	202.09926	143.0
[M-H]-	162.12882	141.5
[M+Na-2H]-	184.11077	145.6
[M]+	163.13555	140.6
[M]-	163.13665	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe