CID 736440

81759-25-3

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

C1CCN(C1)C(=O)N2CCCC2

InChI

InChI=1S/C9H16N2O/c12-9(10-5-1-2-6-10)11-7-3-4-8-11/h1-8H2

InChIKey

HPTQKSXAQBHFKL-UHFFFAOYSA-N

Compound name

dipyrrolidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1286
Patents: 168.12627 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]+	169.13355	140.7
[M+Na]+	191.11549	145.1
[M-H]-	167.11899	143.7
[M+NH4]+	186.16009	161.3
[M+K]+	207.08943	144.5
[M+H-H2O]+	151.12353	132.8
[M+HCOO]-	213.12447	159.2
[M+CH3COO]-	227.14012	174.9
[M+Na-2H]-	189.10094	140.7
[M]+	168.12572	134.8
[M]-	168.12682	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe