CID 2734641

1-(tetrahydro-2-furoyl)piperazine

Structural Information

Molecular Formula

C₉H₁₆N₂O₂

SMILES

C1CC(OC1)C(=O)N2CCNCC2

InChI

InChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2

InChIKey

UKESBLFBQANJHH-UHFFFAOYSA-N

Compound name

oxolan-2-yl(piperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 445
Patents: 184.12119 Da
Monoisotopic Mass: -0.5
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]+	185.12847	142.7
[M+Na]+	207.11041	145.8
[M-H]-	183.11391	144.4
[M+NH4]+	202.15501	158.6
[M+K]+	223.08435	145.2
[M+H-H2O]+	167.11845	134.8
[M+HCOO]-	229.11939	156.8
[M+CH3COO]-	243.13504	175.0
[M+Na-2H]-	205.09586	144.6
[M]+	184.12064	134.8
[M]-	184.12174	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe