CID 25187

Propylamine, n,n-dimethyl-3-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CN(C)CCCC1=CC=CC=C1

InChI

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

InChIKey

NMXXDRKTOJAAQS-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-phenylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 563
Patents: 163.1361 Da
Monoisotopic Mass: 2.7
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	150.0
[M+NH4]+	181.16992	147.2
[M+K]+	202.09926	142.3
[M-H]-	162.12882	141.5
[M+Na-2H]-	184.11077	145.7
[M]+	163.13555	140.4
[M]-	163.13665	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe