CID 3728039

1-(4-isopropylphenyl)ethanamine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

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

InChI

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

InChIKey

UHAQMLODFYUKOM-UHFFFAOYSA-N

Compound name

1-(4-propan-2-ylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 90
Patents: 163.1361 Da
Monoisotopic Mass: 2.3
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	138.0
[M+Na]+	186.12532	149.7
[M+NH4]+	181.16992	147.0
[M+K]+	202.09926	143.6
[M-H]-	162.12882	141.1
[M+Na-2H]-	184.11077	144.5
[M]+	163.13555	140.5
[M]-	163.13665	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe