CID 4746

Perhexiline

Structural Information

Molecular Formula

C₁₉H₃₅N

SMILES

C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3

InChI

InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2

InChIKey

CYXKNKQEMFBLER-UHFFFAOYSA-N

Compound name

2-(2,2-dicyclohexylethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 649
References: 8309
Patents: 277.27695 Da
Monoisotopic Mass: 6.8
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]+	278.28423	174.2
[M+Na]+	300.26617	169.7
[M-H]-	276.26967	176.7
[M+NH4]+	295.31077	186.1
[M+K]+	316.24011	165.2
[M+H-H2O]+	260.27421	164.1
[M+HCOO]-	322.27515	181.2
[M+CH3COO]-	336.29080	179.3
[M+Na-2H]-	298.25162	170.8
[M]+	277.27640	157.2
[M]-	277.27750	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe