CID 44119807

1217527-22-4

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(C)C1CC(=O)CN1C(=O)OC(C)(C)C

InChI

InChI=1S/C12H21NO3/c1-8(2)10-6-9(14)7-13(10)11(15)16-12(3,4)5/h8,10H,6-7H2,1-5H3

InChIKey

NPZQBWOKRKDZQZ-UHFFFAOYSA-N

Compound name

tert-butyl 4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 227.15215 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]+	228.159426	153.2
[M+Na]+	250.141368	159.8
[M-H]-	226.144874	155.4
[M+NH4]+	245.185973	172.4
[M+K]+	266.115308	159.5
[M+H-H2O]+	210.149410	148.1
[M+HCOO]-	272.150351	170.9
[M+CH3COO]-	286.166001	190.5
[M+Na-2H]-	248.126816	153.1
[M]+	227.15160142	154.4
[M]-	227.15269858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe