CID 28428050

[(3-methylphenyl)methyl](2-methylpropyl)amine

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CC1=CC(=CC=C1)CNCC(C)C

InChI

InChI=1S/C12H19N/c1-10(2)8-13-9-12-6-4-5-11(3)7-12/h4-7,10,13H,8-9H2,1-3H3

InChIKey

DRVVGYSIQIUGRR-UHFFFAOYSA-N

Compound name

2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 177.15175 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]+	178.15903	142.1
[M+Na]+	200.14097	154.2
[M+NH4]+	195.18557	151.2
[M+K]+	216.11491	146.8
[M-H]-	176.14447	145.5
[M+Na-2H]-	198.12642	149.2
[M]+	177.15120	144.8
[M]-	177.15230	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe