CID 3829053

104177-96-0

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

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

InChI

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

InChIKey

JOGPHRRMASCZSC-UHFFFAOYSA-N

Compound name

3-phenylpentan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 722
Patents: 163.1361 Da
Monoisotopic Mass: 2.4
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	149.8
[M+NH4]+	181.16992	147.1
[M+K]+	202.09926	143.0
[M-H]-	162.12882	140.9
[M+Na-2H]-	184.11077	145.5
[M]+	163.13555	140.5
[M]-	163.13665	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe