CID 2735655

4-tert-butylbenzylamine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC(C)(C)C1=CC=C(C=C1)CN

InChI

InChI=1S/C11H17N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3

InChIKey

MPWSRGAWRAYBJK-UHFFFAOYSA-N

Compound name

(4-tert-butylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1664
Patents: 163.1361 Da
Monoisotopic Mass: 2.5
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]+	164.14338	137.4
[M+Na]+	186.12532	144.7
[M-H]-	162.12882	140.9
[M+NH4]+	181.16992	158.3
[M+K]+	202.09926	142.4
[M+H-H2O]+	146.13336	132.3
[M+HCOO]-	208.13430	160.3
[M+CH3COO]-	222.14995	182.3
[M+Na-2H]-	184.11077	143.8
[M]+	163.13555	136.2
[M]-	163.13665	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe