CID 74661

4-tert-butylpiperidine

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CC(C)(C)C1CCNCC1

InChI

InChI=1S/C9H19N/c1-9(2,3)8-4-6-10-7-5-8/h8,10H,4-7H2,1-3H3

InChIKey

HAKKTZOUPCDMCN-UHFFFAOYSA-N

Compound name

4-tert-butylpiperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1684
Patents: 141.15175 Da
Monoisotopic Mass: 2.3
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]+	142.15903	134.6
[M+Na]+	164.14097	144.8
[M+NH4]+	159.18557	143.4
[M+K]+	180.11491	139.0
[M-H]-	140.14447	135.6
[M+Na-2H]-	162.12642	139.6
[M]+	141.15120	136.2
[M]-	141.15230	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe