CID 521404

4-tert-butyl-n-methylaniline

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC(C)(C)C1=CC=C(C=C1)NC

InChI

InChI=1S/C11H17N/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8,12H,1-4H3

InChIKey

VPSMEEGFQMCUTH-UHFFFAOYSA-N

Compound name

4-tert-butyl-N-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 247
Patents: 163.1361 Da
Monoisotopic Mass: 3.5
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	136.8
[M+Na]+	186.12532	144.1
[M-H]-	162.12882	140.8
[M+NH4]+	181.16992	157.9
[M+K]+	202.09926	142.1
[M+H-H2O]+	146.13336	131.6
[M+HCOO]-	208.13430	160.3
[M+CH3COO]-	222.14995	183.0
[M+Na-2H]-	184.11077	144.3
[M]+	163.13555	136.6
[M]-	163.13665	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe