CID 61164

N-ethyl-p-toluidine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CCNC1=CC=C(C=C1)C

InChI

InChI=1S/C9H13N/c1-3-10-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3

InChIKey

AASABFUMCBTXRL-UHFFFAOYSA-N

Compound name

N-ethyl-4-methylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1021
Patents: 135.1048 Da
Monoisotopic Mass: 2.5
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]+	136.11208	128.0
[M+Na]+	158.09402	141.1
[M+NH4]+	153.13862	137.8
[M+K]+	174.06796	133.6
[M-H]-	134.09752	131.8
[M+Na-2H]-	156.07947	136.4
[M]+	135.10425	130.9
[M]-	135.10535	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe