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 176.0
[M+Na]+ 359.12136 181.4
[M-H]- 335.12486 179.6
[M+NH4]+ 354.16596 190.0
[M+K]+ 375.09530 179.2
[M+H-H2O]+ 319.12940 168.9
[M+HCOO]- 381.13034 193.1
[M+CH3COO]- 395.14599 207.9
[M+Na-2H]- 357.10681 170.1
[M]+ 336.13159 177.2
[M]- 336.13269 177.2
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.