CID 72207605

1363383-17-8

Structural Information

Molecular Formula

C₁₃H₂₁NO₂

SMILES

CC1(CCN(CC1)C(=O)OC(C)(C)C)C#C

InChI

InChI=1S/C13H21NO2/c1-6-13(5)7-9-14(10-8-13)11(15)16-12(2,3)4/h1H,7-10H2,2-5H3

InChIKey

KVSMRAKIKMZNAH-UHFFFAOYSA-N

Compound name

tert-butyl 4-ethynyl-4-methylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 223.15723 Da
Monoisotopic Mass: 2.5
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]+	224.16451	152.4
[M+Na]+	246.14645	160.6
[M-H]-	222.14995	153.1
[M+NH4]+	241.19105	169.6
[M+K]+	262.12039	157.5
[M+H-H2O]+	206.15449	141.3
[M+HCOO]-	268.15543	163.4
[M+CH3COO]-	282.17108	195.9
[M+Na-2H]-	244.13190	155.2
[M]+	223.15668	145.9
[M]-	223.15778	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe