CID 1229697

42014-60-8

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CC1=CC(=CC(=C1N)C)C(C)(C)C

InChI

InChI=1S/C12H19N/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,13H2,1-5H3

InChIKey

CHHGWEBJQVWINZ-UHFFFAOYSA-N

Compound name

4-tert-butyl-2,6-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
Patents: 177.15175 Da
Monoisotopic Mass: 3.6
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	140.8
[M+Na]+	200.14097	149.6
[M-H]-	176.14447	144.9
[M+NH4]+	195.18557	161.8
[M+K]+	216.11491	147.1
[M+H-H2O]+	160.14901	136.0
[M+HCOO]-	222.14995	163.3
[M+CH3COO]-	236.16560	187.7
[M+Na-2H]-	198.12642	145.3
[M]+	177.15120	140.7
[M]-	177.15230	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe