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

17
Patents

155.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 131.6
[M+Na]+ 178.08386 140.1
[M-H]- 154.08736 132.7
[M+NH4]+ 173.12846 154.7
[M+K]+ 194.05780 138.1
[M+H-H2O]+ 138.09190 127.2
[M+HCOO]- 200.09284 152.3
[M+CH3COO]- 214.10849 173.2
[M+Na-2H]- 176.06931 135.5
[M]+ 155.09409 130.1
[M]- 155.09519 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