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

21
Patents

155.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 131.6
[M+Na]+ 178.083858 140.1
[M-H]- 154.087364 132.7
[M+NH4]+ 173.128463 154.7
[M+K]+ 194.057798 138.1
[M+H-H2O]+ 138.091900 127.2
[M+HCOO]- 200.092841 152.3
[M+CH3COO]- 214.108491 173.2
[M+Na-2H]- 176.069306 135.5
[M]+ 155.09409142 130.1
[M]- 155.09518858 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe