CID 145944784

1334666-51-1

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CC1(CCCN1C(=O)OC(C)(C)C)C#C

InChI

InChI=1S/C12H19NO2/c1-6-12(5)8-7-9-13(12)10(14)15-11(2,3)4/h1H,7-9H2,2-5H3

InChIKey

VGYGPHXXICPONS-UHFFFAOYSA-N

Compound name

tert-butyl 2-ethynyl-2-methylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 209.14159 Da
Monoisotopic Mass: 1.9
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]+	210.14887	145.2
[M+Na]+	232.13081	153.8
[M+NH4]+	227.17541	149.7
[M+K]+	248.10475	146.7
[M-H]-	208.13431	136.4
[M+Na-2H]-	230.11626	146.6
[M]+	209.14104	143.0
[M]-	209.14214	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe