CID 471360

N-boc-3-pyrrolidinone

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

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

InChI

InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h4-6H2,1-3H3

InChIKey

JSOMVCDXPUXKIC-UHFFFAOYSA-N

Compound name

tert-butyl 3-oxopyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3967
Patents: 185.1052 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]+	186.11248	141.6
[M+Na]+	208.09442	149.9
[M+NH4]+	203.13902	147.9
[M+K]+	224.06836	148.3
[M-H]-	184.09792	140.0
[M+Na-2H]-	206.07987	143.9
[M]+	185.10465	141.9
[M]-	185.10575	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe