CID 44693

2-phenylhexylamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CCCCC(CN)C1=CC=CC=C1

InChI

InChI=1S/C12H19N/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10,13H2,1H3

InChIKey

CLTKALZEIFODJZ-UHFFFAOYSA-N

Compound name

2-phenylhexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 177.15175 Da
Monoisotopic Mass: 3.0
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]+	178.15903	142.6
[M+Na]+	200.14097	154.1
[M+NH4]+	195.18557	151.6
[M+K]+	216.11491	146.6
[M-H]-	176.14447	145.8
[M+Na-2H]-	198.12642	149.4
[M]+	177.15120	145.0
[M]-	177.15230	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe