CID 16740777

2-(2-furanyl)piperazine

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1CNC(CN1)C2=CC=CO2

InChI

InChI=1S/C8H12N2O/c1-2-8(11-5-1)7-6-9-3-4-10-7/h1-2,5,7,9-10H,3-4,6H2

InChIKey

LOKVZWIGUJYFLY-UHFFFAOYSA-N

Compound name

2-(furan-2-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 152.09496 Da
Monoisotopic Mass: -0.2
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]+	153.102236	132.0
[M+Na]+	175.084178	137.2
[M-H]-	151.087684	133.0
[M+NH4]+	170.128783	148.8
[M+K]+	191.058118	135.1
[M+H-H2O]+	135.092220	124.5
[M+HCOO]-	197.093161	148.4
[M+CH3COO]-	211.108811	143.4
[M+Na-2H]-	173.069626	137.3
[M]+	152.09441142	124.7
[M]-	152.09550858	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe