CID 210747

1,1-dimethyl-4-(1-(2-furyl)cyclohexyl)piperazinium, iodide

Structural Information

Molecular Formula
C15H24N2O
SMILES
CN1CCN(CC1)C2(CCCCC2)C3=CC=CO3
InChI
InChI=1S/C15H24N2O/c1-16-9-11-17(12-10-16)15(7-3-2-4-8-15)14-6-5-13-18-14/h5-6,13H,2-4,7-12H2,1H3
InChIKey
XPMUCAOXBFRSCG-UHFFFAOYSA-N
Compound name
1-[1-(furan-2-yl)cyclohexyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.18886 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 160.4
[M+Na]+ 271.178078 163.6
[M-H]- 247.181584 166.3
[M+NH4]+ 266.222683 176.3
[M+K]+ 287.152018 161.7
[M+H-H2O]+ 231.186120 150.8
[M+HCOO]- 293.187061 174.5
[M+CH3COO]- 307.202711 170.2
[M+Na-2H]- 269.163526 162.0
[M]+ 248.18831142 152.9
[M]- 248.18940858 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.