CID 764716

1-(2-furylmethyl)piperazine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

C1CN(CCN1)CC2=CC=CO2

InChI

InChI=1S/C9H14N2O/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h1-2,7,10H,3-6,8H2

InChIKey

GQSSZKRUQKGOJB-UHFFFAOYSA-N

Compound name

1-(furan-2-ylmethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 164
Patents: 166.11061 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]+	167.11789	135.9
[M+Na]+	189.09983	141.1
[M-H]-	165.10333	138.1
[M+NH4]+	184.14443	152.9
[M+K]+	205.07377	139.7
[M+H-H2O]+	149.10787	128.0
[M+HCOO]-	211.10881	153.5
[M+CH3COO]-	225.12446	147.6
[M+Na-2H]-	187.08528	141.1
[M]+	166.11006	130.8
[M]-	166.11116	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe