CID 10797616

2-[2-(tert-butoxy)ethyl]piperidine

Structural Information

Molecular Formula

C₁₁H₂₃NO

SMILES

CC(C)(C)OCCC1CCCCN1

InChI

InChI=1S/C11H23NO/c1-11(2,3)13-9-7-10-6-4-5-8-12-10/h10,12H,4-9H2,1-3H3

InChIKey

GDWMRIRVMDEQNZ-UHFFFAOYSA-N

Compound name

2-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 185.17796 Da
Monoisotopic Mass: 1.9
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]+	186.185236	147.6
[M+Na]+	208.167178	151.1
[M-H]-	184.170684	147.0
[M+NH4]+	203.211783	165.3
[M+K]+	224.141118	149.4
[M+H-H2O]+	168.175220	141.4
[M+HCOO]-	230.176161	162.9
[M+CH3COO]-	244.191811	180.2
[M+Na-2H]-	206.152626	151.8
[M]+	185.17741142	143.4
[M]-	185.17850858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe