CID 53409753

3-(3-methylbutyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CC(C)CCC1CCCNC1

InChI

InChI=1S/C10H21N/c1-9(2)5-6-10-4-3-7-11-8-10/h9-11H,3-8H2,1-2H3

InChIKey

YAHGEJCICHJXKP-UHFFFAOYSA-N

Compound name

3-(3-methylbutyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 155.1674 Da
Monoisotopic Mass: 2.8
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]+	156.17468	139.3
[M+Na]+	178.15662	149.2
[M+NH4]+	173.20122	147.9
[M+K]+	194.13056	142.7
[M-H]-	154.16012	140.6
[M+Na-2H]-	176.14207	143.6
[M]+	155.16685	140.8
[M]-	155.16795	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe