CID 222690

3,3-diethylpyrrolidine-2,5-dione

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CCC1(CC(=O)NC1=O)CC

InChI

InChI=1S/C8H13NO2/c1-3-8(4-2)5-6(10)9-7(8)11/h3-5H2,1-2H3,(H,9,10,11)

InChIKey

CDTVXZXPNNELFC-UHFFFAOYSA-N

Compound name

3,3-diethylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 155.09464 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]+	156.10192	134.4
[M+Na]+	178.08386	144.0
[M+NH4]+	173.12846	142.9
[M+K]+	194.05780	138.9
[M-H]-	154.08736	133.7
[M+Na-2H]-	176.06931	138.6
[M]+	155.09409	135.4
[M]-	155.09519	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe