CID 90536

2,6-diethyl-p-toluidine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CCC1=CC(=CC(=C1N)CC)C

InChI

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

InChIKey

OIXUMNZGNCAOKY-UHFFFAOYSA-N

Compound name

2,6-diethyl-4-methylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 597
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	136.4
[M+Na]+	186.12532	145.0
[M-H]-	162.12882	140.2
[M+NH4]+	181.16992	157.6
[M+K]+	202.09926	142.3
[M+H-H2O]+	146.13336	131.0
[M+HCOO]-	208.13430	160.7
[M+CH3COO]-	222.14995	185.0
[M+Na-2H]-	184.11077	140.8
[M]+	163.13555	136.5
[M]-	163.13665	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe