CID 16776999

[1-(2,4-dimethylphenyl)ethyl](methyl)amine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC1=CC(=C(C=C1)C(C)NC)C

InChI

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

InChIKey

XTNFDYBRUMIEEW-UHFFFAOYSA-N

Compound name

1-(2,4-dimethylphenyl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 163.1361 Da
Monoisotopic Mass: 2.4
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	137.1
[M+Na]+	186.12532	149.9
[M+NH4]+	181.16992	146.5
[M+K]+	202.09926	142.9
[M-H]-	162.12882	140.8
[M+Na-2H]-	184.11077	144.4
[M]+	163.13555	140.0
[M]-	163.13665	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe