CID 58404797

1207840-16-1

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CC(C)(C)OC(=O)N1CCC(C1)CC#C

InChI

InChI=1S/C12H19NO2/c1-5-6-10-7-8-13(9-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3

InChIKey

NHWWHIAYSRTQOJ-UHFFFAOYSA-N

Compound name

tert-butyl 3-prop-2-ynylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 209.14159 Da
Monoisotopic Mass: 2.1
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	150.3
[M+Na]+	232.13081	158.5
[M-H]-	208.13431	150.8
[M+NH4]+	227.17541	167.7
[M+K]+	248.10475	155.9
[M+H-H2O]+	192.13885	138.3
[M+HCOO]-	254.13979	163.3
[M+CH3COO]-	268.15544	193.3
[M+Na-2H]-	230.11626	151.1
[M]+	209.14104	144.8
[M]-	209.14214	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe