CID 5100980

1-(4-tert-butylphenyl)ethan-1-amine

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

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

InChI

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

InChIKey

HZUDLUBTTHIVTP-UHFFFAOYSA-N

Compound name

1-(4-tert-butylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 177.15175 Da
Monoisotopic Mass: 2.9
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	142.0
[M+Na]+	200.140968	148.6
[M-H]-	176.144474	145.4
[M+NH4]+	195.185573	162.2
[M+K]+	216.114908	146.6
[M+H-H2O]+	160.149010	136.7
[M+HCOO]-	222.149951	163.5
[M+CH3COO]-	236.165601	186.2
[M+Na-2H]-	198.126416	146.6
[M]+	177.15120142	140.5
[M]-	177.15229858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe