CID 3142088

(2-phenylethyl)propylamine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CCCNCCC1=CC=CC=C1

InChI

InChI=1S/C11H17N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3

InChIKey

IIIRPZWDICEMGU-UHFFFAOYSA-N

Compound name

N-(2-phenylethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 189
Patents: 163.1361 Da
Monoisotopic Mass: 1.3
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	137.5
[M+Na]+	186.12532	149.9
[M+NH4]+	181.16992	147.0
[M+K]+	202.09926	141.7
[M-H]-	162.12882	141.2
[M+Na-2H]-	184.11077	145.6
[M]+	163.13555	140.3
[M]-	163.13665	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe