CID 76199

2909-79-7

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CC(C)(C)C1=CC=C(C=C1)N(C)C

InChI

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

InChIKey

SJDILFZCXQHCRB-UHFFFAOYSA-N

Compound name

4-tert-butyl-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 3083
Patents: 177.15175 Da
Monoisotopic Mass: 4.1
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]+	178.159026	140.6
[M+Na]+	200.140968	147.7
[M-H]-	176.144474	146.0
[M+NH4]+	195.185573	161.8
[M+K]+	216.114908	146.9
[M+H-H2O]+	160.149010	135.0
[M+HCOO]-	222.149951	164.3
[M+CH3COO]-	236.165601	189.6
[M+Na-2H]-	198.126416	146.9
[M]+	177.15120142	142.1
[M]-	177.15229858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe