CID 16744515

1,1-dimethylethyl 2-methyl-2-(2-oxoethyl)-1-pyrrolidinecarboxylate

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

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

InChI

InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-5-6-12(13,4)7-9-14/h9H,5-8H2,1-4H3

InChIKey

QJFMHHFIAHRDNY-UHFFFAOYSA-N

Compound name

tert-butyl 2-methyl-2-(2-oxoethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.15215 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]+	228.15943	153.0
[M+Na]+	250.14137	159.7
[M-H]-	226.14487	155.0
[M+NH4]+	245.18597	173.9
[M+K]+	266.11531	159.2
[M+H-H2O]+	210.14941	148.3
[M+HCOO]-	272.15035	171.6
[M+CH3COO]-	286.16600	187.9
[M+Na-2H]-	248.12682	155.9
[M]+	227.15160	154.7
[M]-	227.15270	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe