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]+ 249.19614 160.4
[M+Na]+ 271.17808 163.6
[M-H]- 247.18158 166.3
[M+NH4]+ 266.22268 176.3
[M+K]+ 287.15202 161.7
[M+H-H2O]+ 231.18612 150.8
[M+HCOO]- 293.18706 174.5
[M+CH3COO]- 307.20271 170.2
[M+Na-2H]- 269.16353 162.0
[M]+ 248.18831 152.9
[M]- 248.18941 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.