CID 18187546

301185-41-1

Structural Information

Molecular Formula

C₁₃H₂₁NO₂

SMILES

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

InChI

InChI=1S/C13H21NO2/c1-5-6-11-7-9-14(10-8-11)12(15)16-13(2,3)4/h1,11H,6-10H2,2-4H3

InChIKey

CHTFWVDBUXUMCE-UHFFFAOYSA-N

Compound name

tert-butyl 4-prop-2-ynylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 232
Patents: 223.15723 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]+	224.164506	152.7
[M+Na]+	246.146448	159.6
[M-H]-	222.149954	152.8
[M+NH4]+	241.191053	167.8
[M+K]+	262.120388	156.9
[M+H-H2O]+	206.154490	140.5
[M+HCOO]-	268.155431	163.5
[M+CH3COO]-	282.171081	196.3
[M+Na-2H]-	244.131896	154.2
[M]+	223.15668142	145.7
[M]-	223.15777858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe