CID 133440

Gmbs

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₆

SMILES

C1CC(=O)N(C1=O)OC(=O)CCCN2C(=O)C=CC2=O

InChI

InChI=1S/C12H12N2O6/c15-8-3-4-9(16)13(8)7-1-2-12(19)20-14-10(17)5-6-11(14)18/h3-4H,1-2,5-7H2

InChIKey

PVGATNRYUYNBHO-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 20
References: 19879
Patents: 280.06955 Da
Monoisotopic Mass: -1.2
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]+	281.07683	162.6
[M+Na]+	303.05877	169.9
[M+NH4]+	298.10337	166.0
[M+K]+	319.03271	171.0
[M-H]-	279.06227	160.3
[M+Na-2H]-	301.04422	162.9
[M]+	280.06900	162.2
[M]-	280.07010	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe