CID 221031

2049-92-5

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

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

InChI

InChI=1S/C11H17N/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8H,4,12H2,1-3H3

InChIKey

RQUPXQYTWVIBIV-UHFFFAOYSA-N

Compound name

4-(2-methylbutan-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 269
Patents: 163.1361 Da
Monoisotopic Mass: 3.2
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	137.6
[M+Na]+	186.12532	149.8
[M+NH4]+	181.16992	146.8
[M+K]+	202.09926	143.3
[M-H]-	162.12882	140.6
[M+Na-2H]-	184.11077	144.9
[M]+	163.13555	140.3
[M]-	163.13665	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe