CID 44693

Hexylamine, 2-phenyl-, 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: 29
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]+	178.159026	142.9
[M+Na]+	200.140968	147.9
[M-H]-	176.144474	145.4
[M+NH4]+	195.185573	162.5
[M+K]+	216.114908	145.3
[M+H-H2O]+	160.149010	136.6
[M+HCOO]-	222.149951	165.9
[M+CH3COO]-	236.165601	185.4
[M+Na-2H]-	198.126416	147.5
[M]+	177.15120142	141.5
[M]-	177.15229858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe