CID 144235

67330-61-4

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CCC1=C(C(=C(C=C1)C)CC)N

InChI

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

InChIKey

OXYMEFWXAVMOEB-UHFFFAOYSA-N

Compound name

2,6-diethyl-3-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
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]+	164.143376	136.4
[M+Na]+	186.125318	145.0
[M-H]-	162.128824	140.2
[M+NH4]+	181.169923	157.6
[M+K]+	202.099258	142.3
[M+H-H2O]+	146.133360	131.0
[M+HCOO]-	208.134301	160.7
[M+CH3COO]-	222.149951	185.0
[M+Na-2H]-	184.110766	140.8
[M]+	163.13555142	136.5
[M]-	163.13664858	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe