CID 3299229

55750-61-3

Structural Information

Molecular Formula

C₁₀H₈N₂O₆

SMILES

C1CC(=O)N(C1=O)OC(=O)CN2C(=O)C=CC2=O

InChI

InChI=1S/C10H8N2O6/c13-6-1-2-7(14)11(6)5-10(17)18-12-8(15)3-4-9(12)16/h1-2H,3-5H2

InChIKey

TYKASZBHFXBROF-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5232
Patents: 252.03824 Da
Monoisotopic Mass: -1.5
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]+	253.04552	154.1
[M+Na]+	275.02746	161.9
[M+NH4]+	270.07206	157.9
[M+K]+	291.00140	163.4
[M-H]-	251.03096	151.9
[M+Na-2H]-	273.01291	154.9
[M]+	252.03769	153.8
[M]-	252.03879	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe