CID 66679

N,n-diethyl-m-toluidine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

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

InChI

InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3

InChIKey

CIPVVROJHKLHJI-UHFFFAOYSA-N

Compound name

N,N-diethyl-3-methylaniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2198
Patents: 163.1361 Da
Monoisotopic Mass: 3.5
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]+	164.14338	136.6
[M+Na]+	186.12532	143.4
[M-H]-	162.12882	141.6
[M+NH4]+	181.16992	158.1
[M+K]+	202.09926	142.5
[M+H-H2O]+	146.13336	130.4
[M+HCOO]-	208.13430	162.1
[M+CH3COO]-	222.14995	186.9
[M+Na-2H]-	184.11077	142.6
[M]+	163.13555	138.1
[M]-	163.13665	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe