CID 2804873

Maybridge3_000784

Structural Information

Molecular Formula

C₁₃H₂₂N₂O₂

SMILES

C1CCN(C1)C(=O)CCCC(=O)N2CCCC2

InChI

InChI=1S/C13H22N2O2/c16-12(14-8-1-2-9-14)6-5-7-13(17)15-10-3-4-11-15/h1-11H2

InChIKey

KBJHHEFKAJHHGN-UHFFFAOYSA-N

Compound name

1,5-dipyrrolidin-1-ylpentane-1,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 238.16812 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]+	239.175396	160.9
[M+Na]+	261.157338	163.5
[M-H]-	237.160844	163.4
[M+NH4]+	256.201943	178.4
[M+K]+	277.131278	162.2
[M+H-H2O]+	221.165380	152.4
[M+HCOO]-	283.166321	177.5
[M+CH3COO]-	297.181971	188.8
[M+Na-2H]-	259.142786	157.7
[M]+	238.16757142	156.5
[M]-	238.16866858	156.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.