CID 54592945

Methyl[2-methyl-1-(2-methylphenyl)propyl]amine

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CC1=CC=CC=C1C(C(C)C)NC

InChI

InChI=1S/C12H19N/c1-9(2)12(13-4)11-8-6-5-7-10(11)3/h5-9,12-13H,1-4H3

InChIKey

LBDFWZDQEYNLGK-UHFFFAOYSA-N

Compound name

N,2-dimethyl-1-(2-methylphenyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.15175 Da
Monoisotopic Mass: 3.0
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]+	178.15903	142.2
[M+Na]+	200.14097	147.9
[M-H]-	176.14447	145.7
[M+NH4]+	195.18557	162.3
[M+K]+	216.11491	146.2
[M+H-H2O]+	160.14901	136.2
[M+HCOO]-	222.14995	164.8
[M+CH3COO]-	236.16560	188.1
[M+Na-2H]-	198.12642	145.9
[M]+	177.15120	141.6
[M]-	177.15230	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe