CID 12365599

62613-80-3

Structural Information

Molecular Formula

C₈H₁₁NO₄

SMILES

CCOC(=O)CN1CC(=O)CC1=O

InChI

InChI=1S/C8H11NO4/c1-2-13-8(12)5-9-4-6(10)3-7(9)11/h2-5H2,1H3

InChIKey

SZFQKAPNPSIRHD-UHFFFAOYSA-N

Compound name

ethyl 2-(2,4-dioxopyrrolidin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 185.0688 Da
Monoisotopic Mass: -0.2
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]+	186.076076	136.7
[M+Na]+	208.058018	144.7
[M-H]-	184.061524	139.0
[M+NH4]+	203.102623	157.0
[M+K]+	224.031958	144.3
[M+H-H2O]+	168.066060	131.0
[M+HCOO]-	230.067001	158.6
[M+CH3COO]-	244.082651	179.8
[M+Na-2H]-	206.043466	138.8
[M]+	185.06825142	138.3
[M]-	185.06934858	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe