CID 10749944

1-(5-aminopentyl)-2,5-dihydro-1h-pyrrole-2,5-dione hydrochloride

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

C1=CC(=O)N(C1=O)CCCCCN

InChI

InChI=1S/C9H14N2O2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13/h4-5H,1-3,6-7,10H2

InChIKey

AHLAQJXELUHIEW-UHFFFAOYSA-N

Compound name

1-(5-aminopentyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 317
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	139.4
[M+Na]+	205.094748	147.2
[M-H]-	181.098254	141.2
[M+NH4]+	200.139353	159.5
[M+K]+	221.068688	145.0
[M+H-H2O]+	165.102790	133.0
[M+HCOO]-	227.103731	163.2
[M+CH3COO]-	241.119381	183.1
[M+Na-2H]-	203.080196	142.3
[M]+	182.10498142	139.5
[M]-	182.10607858	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe