CID 20566478

2173997-11-8

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

C1CNCCC1N2C(=O)C=CC2=O

InChI

InChI=1S/C9H12N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-2,7,10H,3-6H2

InChIKey

WPBUISBVAWHLGC-UHFFFAOYSA-N

Compound name

1-piperidin-4-ylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 180.08987 Da
Monoisotopic Mass: -0.4
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]+	181.09715	139.2
[M+Na]+	203.07909	145.7
[M-H]-	179.08259	141.4
[M+NH4]+	198.12369	157.2
[M+K]+	219.05303	142.8
[M+H-H2O]+	163.08713	131.7
[M+HCOO]-	225.08807	156.9
[M+CH3COO]-	239.10372	175.8
[M+Na-2H]-	201.06454	141.3
[M]+	180.08932	132.9
[M]-	180.09042	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe