CID 15550481

287192-97-6

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C#C

InChI

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

InChIKey

INUWDZDWSJJFSQ-UHFFFAOYSA-N

Compound name

tert-butyl 4-ethynylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1279
Patents: 209.14159 Da
Monoisotopic Mass: 2.0
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]+	210.14887	148.7
[M+Na]+	232.13081	156.1
[M-H]-	208.13431	149.0
[M+NH4]+	227.17541	164.4
[M+K]+	248.10475	153.6
[M+H-H2O]+	192.13885	136.7
[M+HCOO]-	254.13979	159.9
[M+CH3COO]-	268.15544	193.6
[M+Na-2H]-	230.11626	150.7
[M]+	209.14104	141.4
[M]-	209.14214	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe