CID 114813

1,1'-(1,8-dioxo-1,8-octanediyl)bis-2,5-pyrrolidinedione

Structural Information

Molecular Formula
C16H20N2O6
SMILES
C1CC(=O)N(C1=O)C(=O)CCCCCCC(=O)N2C(=O)CCC2=O
InChI
InChI=1S/C16H20N2O6/c19-11(17-13(21)7-8-14(17)22)5-3-1-2-4-6-12(20)18-15(23)9-10-16(18)24/h1-10H2
InChIKey
GFTIUQBZNJERFZ-UHFFFAOYSA-N
Compound name
1-[8-(2,5-dioxopyrrolidin-1-yl)-8-oxooctanoyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

265
References

0
Patents

336.13214 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.13942 179.4
[M+Na]+ 359.12136 184.7
[M+NH4]+ 354.16596 181.7
[M+K]+ 375.09530 185.8
[M-H]- 335.12486 176.3
[M+Na-2H]- 357.10681 177.5
[M]+ 336.13159 178.3
[M]- 336.13269 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.