CID 5004084

Bis(2,5-dioxopyrrolidin-1-yl) oxalate

Structural Information

Molecular Formula

C₁₀H₈N₂O₈

SMILES

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

InChI

InChI=1S/C10H8N2O8/c13-5-1-2-6(14)11(5)19-9(17)10(18)20-12-7(15)3-4-8(12)16/h1-4H2

InChIKey

OMAHFYGHUQSIEF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 777
Patents: 284.02808 Da
Monoisotopic Mass: -1.4
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]+	285.03536	159.5
[M+Na]+	307.01730	165.1
[M+NH4]+	302.06190	161.6
[M+K]+	322.99124	168.7
[M-H]-	283.02080	155.6
[M+Na-2H]-	305.00275	158.3
[M]+	284.02753	158.1
[M]-	284.02863	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe