CID 12822552

1-(piperidin-4-yl)pyrrolidine-2,5-dione hydrochloride

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

C1CNCCC1N2C(=O)CCC2=O

InChI

InChI=1S/C9H14N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h7,10H,1-6H2

InChIKey

YBNKMAJFERLVEF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 182.10553 Da
Monoisotopic Mass: -0.7
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]+	183.112806	141.3
[M+Na]+	205.094748	146.7
[M-H]-	181.098254	143.0
[M+NH4]+	200.139353	159.1
[M+K]+	221.068688	144.0
[M+H-H2O]+	165.102790	133.8
[M+HCOO]-	227.103731	157.5
[M+CH3COO]-	241.119381	176.2
[M+Na-2H]-	203.080196	142.3
[M]+	182.10498142	133.6
[M]-	182.10607858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe