CID 2756790

175463-32-8

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

CC(C)(C)OC(=O)N1CC(C(=O)C1)C#N

InChI

InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-5-7(4-11)8(13)6-12/h7H,5-6H2,1-3H3

InChIKey

RKUQLKRPWWYRIG-UHFFFAOYSA-N

Compound name

tert-butyl 3-cyano-4-oxopyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 149
Patents: 210.10045 Da
Monoisotopic Mass: 0.7
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]+	211.10773	145.6
[M+Na]+	233.08967	153.6
[M+NH4]+	228.13427	148.2
[M+K]+	249.06361	149.0
[M-H]-	209.09317	136.8
[M+Na-2H]-	231.07512	145.3
[M]+	210.09990	143.1
[M]-	210.10100	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe