CID 5243950

2-(tert-butyl)piperidine

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CC(C)(C)C1CCCCN1

InChI

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

InChIKey

XVHXKRXHTZYTDU-UHFFFAOYSA-N

Compound name

2-tert-butylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 313
Patents: 141.15175 Da
Monoisotopic Mass: 2.4
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	135.2
[M+Na]+	164.14097	139.6
[M-H]-	140.14447	135.1
[M+NH4]+	159.18557	154.8
[M+K]+	180.11491	138.0
[M+H-H2O]+	124.14901	129.7
[M+HCOO]-	186.14995	151.0
[M+CH3COO]-	200.16560	172.1
[M+Na-2H]-	162.12642	140.5
[M]+	141.15120	128.9
[M]-	141.15230	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe