CID 53415896

56657-76-2

Structural Information

Molecular Formula

C₇H₆N₂O₄

SMILES

C1CC(=O)N(C1=O)OC(=O)CC#N

InChI

InChI=1S/C7H6N2O4/c8-4-3-7(12)13-9-5(10)1-2-6(9)11/h1-3H2

InChIKey

OZLIBRFWDOSHRS-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 2-cyanoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 330
Patents: 182.03276 Da
Monoisotopic Mass: -0.9
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]+	183.04004	137.1
[M+Na]+	205.02198	145.5
[M+NH4]+	200.06658	139.5
[M+K]+	220.99592	140.7
[M-H]-	181.02548	128.3
[M+Na-2H]-	203.00743	136.9
[M]+	182.03221	134.4
[M]-	182.03331	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe