CID 727848

27579-35-7

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂

SMILES

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

InChI

InChI=1S/C11H18N2O2/c14-10(12-5-1-2-6-12)9-11(15)13-7-3-4-8-13/h1-9H2

InChIKey

RRAQUGBKFRBAOC-UHFFFAOYSA-N

Compound name

1,3-dipyrrolidin-1-ylpropane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.13683 Da
Monoisotopic Mass: 0.3
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]+	211.14411	151.9
[M+Na]+	233.12605	155.4
[M-H]-	209.12955	154.7
[M+NH4]+	228.17065	170.6
[M+K]+	249.09999	154.6
[M+H-H2O]+	193.13409	143.8
[M+HCOO]-	255.13503	169.1
[M+CH3COO]-	269.15068	182.9
[M+Na-2H]-	231.11150	149.8
[M]+	210.13628	146.8
[M]-	210.13738	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe