CID 112486621

Tert-butyl 4-amino-3,3-dimethylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC1(CN(CC1N)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-6-8(12)11(4,5)7-13/h8H,6-7,12H2,1-5H3

InChIKey

DLQDCEVLPYUFGY-UHFFFAOYSA-N

Compound name

tert-butyl 4-amino-3,3-dimethylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.16812 Da
Monoisotopic Mass: 1.2
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]+	215.175396	150.4
[M+Na]+	237.157338	157.3
[M-H]-	213.160844	152.4
[M+NH4]+	232.201943	171.7
[M+K]+	253.131278	156.8
[M+H-H2O]+	197.165380	145.9
[M+HCOO]-	259.166321	169.4
[M+CH3COO]-	273.181971	189.2
[M+Na-2H]-	235.142786	152.5
[M]+	214.16757142	149.5
[M]-	214.16866858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.