CID 21304894

[(2-tert-butylphenyl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CC(C)(C)C1=CC=CC=C1CNC

InChI

InChI=1S/C12H19N/c1-12(2,3)11-8-6-5-7-10(11)9-13-4/h5-8,13H,9H2,1-4H3

InChIKey

XWXBFNLPCMEZLQ-UHFFFAOYSA-N

Compound name

1-(2-tert-butylphenyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
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	141.5
[M+Na]+	200.14097	148.3
[M-H]-	176.14447	145.3
[M+NH4]+	195.18557	162.0
[M+K]+	216.11491	146.1
[M+H-H2O]+	160.14901	136.1
[M+HCOO]-	222.14995	164.6
[M+CH3COO]-	236.16560	186.1
[M+Na-2H]-	198.12642	148.4
[M]+	177.15120	141.6
[M]-	177.15230	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe