CID 3078280

(+-)-n-(trans-2-hydroxycyclohexyl)-n-methyl-4-phenylpiperidinium iodide

Structural Information

Molecular Formula
C18H28NO
SMILES
C[N+]1(CCC(CC1)C2=CC=CC=C2)C3CCCC[C@@H]3O
InChI
InChI=1S/C18H28NO/c1-19(17-9-5-6-10-18(17)20)13-11-16(12-14-19)15-7-3-2-4-8-15/h2-4,7-8,16-18,20H,5-6,9-14H2,1H3/q+1/t16?,17?,18-,19?/m0/s1
InChIKey
WAKPFUAAFAMBSZ-VVXOGMOBSA-N
Compound name
(1S)-2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2171 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.22438 168.3
[M+Na]+ 297.20632 182.8
[M+NH4]+ 292.25092 180.3
[M+K]+ 313.18026 172.8
[M-H]- 273.20982 176.2
[M+Na-2H]- 295.19177 178.4
[M]+ 274.21655 173.2
[M]- 274.21765 173.2
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.