CID 15867081

255864-58-5

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CC(C)(C)OC(=O)N1CCCCC1C#C

InChI

InChI=1S/C12H19NO2/c1-5-10-8-6-7-9-13(10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3

InChIKey

OLYLUYXEZAJXAC-UHFFFAOYSA-N

Compound name

tert-butyl 2-ethynylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 209.14159 Da
Monoisotopic Mass: 2.1
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]+	210.148866	148.7
[M+Na]+	232.130808	156.1
[M-H]-	208.134314	149.0
[M+NH4]+	227.175413	164.4
[M+K]+	248.104748	153.6
[M+H-H2O]+	192.138850	136.7
[M+HCOO]-	254.139791	159.9
[M+CH3COO]-	268.155441	193.6
[M+Na-2H]-	230.116256	150.7
[M]+	209.14104142	141.4
[M]-	209.14213858	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe