CID 161662

30364-60-4

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₈

SMILES

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

InChI

InChI=1S/C12H12N2O8/c15-7-1-2-8(16)13(7)21-11(19)5-6-12(20)22-14-9(17)3-4-10(14)18/h1-6H2

InChIKey

ZSNFGVQUPMRCIP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5255
Patents: 312.05936 Da
Monoisotopic Mass: -1.9
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]+	313.06664	161.3
[M+Na]+	335.04858	167.9
[M-H]-	311.05208	165.6
[M+NH4]+	330.09318	176.0
[M+K]+	351.02252	167.9
[M+H-H2O]+	295.05662	154.8
[M+HCOO]-	357.05756	180.1
[M+CH3COO]-	371.07321	200.7
[M+Na-2H]-	333.03403	158.1
[M]+	312.05881	164.0
[M]-	312.05991	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe