CID 130068060

1440960-50-8

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

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

InChI

InChI=1S/C12H22N2O2/c1-5-6-12(13)7-8-14(9-12)10(15)16-11(2,3)4/h5H,1,6-9,13H2,2-4H3

InChIKey

NIJUVWOOJQTXTQ-UHFFFAOYSA-N

Compound name

tert-butyl 3-amino-3-prop-2-enylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 226.16812 Da
Monoisotopic Mass: 1.3
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]+	227.175396	154.7
[M+Na]+	249.157338	160.6
[M-H]-	225.160844	156.1
[M+NH4]+	244.201943	175.1
[M+K]+	265.131278	159.1
[M+H-H2O]+	209.165380	149.7
[M+HCOO]-	271.166321	173.5
[M+CH3COO]-	285.181971	190.1
[M+Na-2H]-	247.142786	156.8
[M]+	226.16757142	153.1
[M]-	226.16866858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe