CID 46781856

917877-73-7

Structural Information

Molecular Formula

C₁₉H₃₅NO

SMILES

C1CCC(CC1)C(CC2CCCCN2)C3CCC(CC3)O

InChI

InChI=1S/C19H35NO/c21-18-11-9-16(10-12-18)19(15-6-2-1-3-7-15)14-17-8-4-5-13-20-17/h15-21H,1-14H2

InChIKey

DZFRYNPJLZCKSC-UHFFFAOYSA-N

Compound name

4-(1-cyclohexyl-2-piperidin-2-ylethyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 8
Patents: 293.27185 Da
Monoisotopic Mass: 4.9
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]+	294.279126	177.6
[M+Na]+	316.261068	173.6
[M-H]-	292.264574	179.1
[M+NH4]+	311.305673	188.5
[M+K]+	332.235008	168.9
[M+H-H2O]+	276.269110	168.1
[M+HCOO]-	338.270051	183.3
[M+CH3COO]-	352.285701	198.0
[M+Na-2H]-	314.246516	173.3
[M]+	293.27130142	160.7
[M]-	293.27239858	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe