CID 5004084

57296-03-4

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

2
Annotation Hits: 1
References: 815
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	152.6
[M+Na]+	307.01730	160.2
[M-H]-	283.02080	157.3
[M+NH4]+	302.06190	168.6
[M+K]+	322.99124	160.7
[M+H-H2O]+	267.02534	146.5
[M+HCOO]-	329.02628	172.1
[M+CH3COO]-	343.04193	194.2
[M+Na-2H]-	305.00275	150.4
[M]+	284.02753	154.6
[M]-	284.02863	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe