CID 100658

68528-80-3

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₈

SMILES

C1CC(=O)N(C1=O)OC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O

InChI

InChI=1S/C16H20N2O8/c19-11-7-8-12(20)17(11)25-15(23)5-3-1-2-4-6-16(24)26-18-13(21)9-10-14(18)22/h1-10H2

InChIKey

ZWIBGKZDAWNIFC-UHFFFAOYSA-N

Compound name

bis(2,5-dioxopyrrolidin-1-yl) octanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 41818
Patents: 368.12198 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	369.12926	179.0
[M+Na]+	391.11120	183.8
[M-H]-	367.11470	182.5
[M+NH4]+	386.15580	191.5
[M+K]+	407.08514	183.0
[M+H-H2O]+	351.11924	171.8
[M+HCOO]-	413.12018	196.4
[M+CH3COO]-	427.13583	212.4
[M+Na-2H]-	389.09665	173.9
[M]+	368.12143	183.1
[M]-	368.12253	183.1

Literature stripe

literature stripe

Patent stripe

patents stripe