CID 25478174

1030181-52-2

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₃

SMILES

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

InChI

InChI=1S/C14H22N2O3/c1-5-8-15-12(17)11-6-9-16(10-7-11)13(18)19-14(2,3)4/h1,11H,6-10H2,2-4H3,(H,15,17)

InChIKey

XYNQIICDAJZIHK-UHFFFAOYSA-N

Compound name

tert-butyl 4-(prop-2-ynylcarbamoyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 266.16306 Da
Monoisotopic Mass: 1.0
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]+	267.170336	164.3
[M+Na]+	289.152278	169.8
[M-H]-	265.155784	164.1
[M+NH4]+	284.196883	177.3
[M+K]+	305.126218	167.6
[M+H-H2O]+	249.160320	151.6
[M+HCOO]-	311.161261	175.1
[M+CH3COO]-	325.176911	204.6
[M+Na-2H]-	287.137726	164.4
[M]+	266.16251142	156.8
[M]-	266.16360858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe