CID 10932936

14468-80-5

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

C1CC(=O)N(C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H13NO3/c14-11-7-4-8-13(11)12(15)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2

InChIKey

DVMZKGUWEAXMRT-UHFFFAOYSA-N

Compound name

benzyl 2-oxopyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 219.08954 Da
Monoisotopic Mass: 1.8
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]+	220.09682	147.8
[M+Na]+	242.07876	154.3
[M-H]-	218.08226	152.9
[M+NH4]+	237.12336	166.3
[M+K]+	258.05270	152.3
[M+H-H2O]+	202.08680	140.3
[M+HCOO]-	264.08774	169.5
[M+CH3COO]-	278.10339	184.3
[M+Na-2H]-	240.06421	150.5
[M]+	219.08899	147.1
[M]-	219.09009	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe