CID 23170957

3-(pyrrolidin-1-yl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C1CCN(C1)C2CC(=O)NC2=O
InChI
InChI=1S/C8H12N2O2/c11-7-5-6(8(12)9-7)10-3-1-2-4-10/h6H,1-5H2,(H,9,11,12)
InChIKey
MJCFVTJYDSSDSE-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-ylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

168.08987 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 137.2
[M+Na]+ 191.079088 143.8
[M-H]- 167.082594 139.6
[M+NH4]+ 186.123693 157.4
[M+K]+ 207.053028 141.7
[M+H-H2O]+ 151.087130 130.3
[M+HCOO]- 213.088071 155.8
[M+CH3COO]- 227.103721 173.2
[M+Na-2H]- 189.064536 137.2
[M]+ 168.08932142 131.3
[M]- 168.09041858 131.3
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