CID 237509

5132-30-9

Structural Information

Molecular Formula

C₁₀H₈N₂O₄

SMILES

C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O

InChI

InChI=1S/C10H8N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2

InChIKey

PUKLCKVOVCZYKF-UHFFFAOYSA-N

Compound name

1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5109
Patents: 220.0484 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]+	221.05568	143.2
[M+Na]+	243.03762	153.6
[M-H]-	219.04112	148.3
[M+NH4]+	238.08222	162.6
[M+K]+	259.01156	151.3
[M+H-H2O]+	203.04566	136.6
[M+HCOO]-	265.04660	166.5
[M+CH3COO]-	279.06225	185.9
[M+Na-2H]-	241.02307	143.8
[M]+	220.04785	145.1
[M]-	220.04895	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe