CID 18366117

275387-83-2

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

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

InChI

InChI=1S/C12H19NO3/c1-5-12(15)6-8-13(9-7-12)10(14)16-11(2,3)4/h1,15H,6-9H2,2-4H3

InChIKey

SHEYWYIIXFHSNB-UHFFFAOYSA-N

Compound name

tert-butyl 4-ethynyl-4-hydroxypiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 187
Patents: 225.13649 Da
Monoisotopic Mass: 0.9
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]+	226.14377	149.7
[M+Na]+	248.12571	158.3
[M+NH4]+	243.17031	153.6
[M+K]+	264.09965	150.1
[M-H]-	224.12921	140.6
[M+Na-2H]-	246.11116	150.9
[M]+	225.13594	147.4
[M]-	225.13704	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe