CID 11652305

906744-01-2

Structural Information

Molecular Formula

C₁₇H₃₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCC2CCNCC2

InChI

InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-12-8-15(9-13-19)5-4-14-6-10-18-11-7-14/h14-15,18H,4-13H2,1-3H3

InChIKey

PHIKYAZZSFUWIW-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 296.24637 Da
Monoisotopic Mass: 3.3
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]+	297.253646	178.1
[M+Na]+	319.235588	178.2
[M-H]-	295.239094	178.0
[M+NH4]+	314.280193	189.4
[M+K]+	335.209528	175.3
[M+H-H2O]+	279.243630	169.3
[M+HCOO]-	341.244571	186.6
[M+CH3COO]-	355.260221	199.7
[M+Na-2H]-	317.221036	177.0
[M]+	296.24582142	170.0
[M]-	296.24691858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe