CID 3053136

69556-95-2

Structural Information

Molecular Formula

C₈H₈N₂O₄

SMILES

C1CC(=O)N(C1=O)C2CC(=O)NC2=O

InChI

InChI=1S/C8H8N2O4/c11-5-3-4(8(14)9-5)10-6(12)1-2-7(10)13/h4H,1-3H2,(H,9,11,14)

InChIKey

FJUZJOJINPUTGC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 217
Patents: 196.0484 Da
Monoisotopic Mass: -2.0
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]+	197.05568	139.2
[M+Na]+	219.03762	148.0
[M-H]-	195.04112	142.5
[M+NH4]+	214.08222	158.6
[M+K]+	235.01156	145.6
[M+H-H2O]+	179.04566	133.2
[M+HCOO]-	241.04660	158.7
[M+CH3COO]-	255.06225	178.3
[M+Na-2H]-	217.02307	138.4
[M]+	196.04785	135.7
[M]-	196.04895	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe