CID 18769597

676558-37-5

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H7NO3/c8-4-3-7-5(9)1-2-6(7)10/h4H,1-3H2

InChIKey

WWNROKMSDUGWSV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 141.04259 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]+	142.04987	128.1
[M+Na]+	164.03181	138.0
[M+NH4]+	159.07641	135.0
[M+K]+	180.00575	135.2
[M-H]-	140.03531	127.2
[M+Na-2H]-	162.01726	131.2
[M]+	141.04204	128.8
[M]-	141.04314	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe