CID 676246

74124-79-1

Structural Information

Molecular Formula

C₉H₈N₂O₇

SMILES

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

InChI

InChI=1S/C9H8N2O7/c12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h1-4H2

InChIKey

PFYXSUNOLOJMDX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24080
Patents: 256.03314 Da
Monoisotopic Mass: -1.3
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]+	257.04042	147.7
[M+Na]+	279.02236	155.9
[M-H]-	255.02586	152.4
[M+NH4]+	274.06696	165.0
[M+K]+	294.99630	156.0
[M+H-H2O]+	239.03040	141.4
[M+HCOO]-	301.03134	168.1
[M+CH3COO]-	315.04699	189.4
[M+Na-2H]-	277.00781	146.6
[M]+	256.03259	149.3
[M]-	256.03369	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe