CID 11736659

50478-58-5

Structural Information

Molecular Formula

C₁₁H₁₇NO₅

SMILES

CCOC(=O)CC1C(=O)CCN1C(=O)OCC

InChI

InChI=1S/C11H17NO5/c1-3-16-10(14)7-8-9(13)5-6-12(8)11(15)17-4-2/h8H,3-7H2,1-2H3

InChIKey

CUDZIKIQKYISEN-UHFFFAOYSA-N

Compound name

ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 243.11067 Da
Monoisotopic Mass: 0.3
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]+	244.11795	153.5
[M+Na]+	266.09989	159.9
[M-H]-	242.10339	155.4
[M+NH4]+	261.14449	171.5
[M+K]+	282.07383	159.9
[M+H-H2O]+	226.10793	147.2
[M+HCOO]-	288.10887	173.6
[M+CH3COO]-	302.12452	190.5
[M+Na-2H]-	264.08534	153.0
[M]+	243.11012	156.9
[M]-	243.11122	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe