CID 550206

1-(2-furoyl)piperazine

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

C1CN(CCN1)C(=O)C2=CC=CO2

InChI

InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2

InChIKey

SADPINFEWFPMEA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 1331
Patents: 180.08987 Da
Monoisotopic Mass: 0.1
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]+	181.097146	138.7
[M+Na]+	203.079088	143.9
[M-H]-	179.082594	141.2
[M+NH4]+	198.123693	155.0
[M+K]+	219.053028	142.9
[M+H-H2O]+	163.087130	130.9
[M+HCOO]-	225.088071	155.7
[M+CH3COO]-	239.103721	174.1
[M+Na-2H]-	201.064536	142.7
[M]+	180.08932142	133.7
[M]-	180.09041858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe