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 169.8
[M+Na]+ 297.20632 171.8
[M-H]- 273.20982 175.1
[M+NH4]+ 292.25092 184.9
[M+K]+ 313.18026 161.6
[M+H-H2O]+ 257.21436 163.3
[M+HCOO]- 319.21530 182.4
[M+CH3COO]- 333.23095 189.3
[M+Na-2H]- 295.19177 173.1
[M]+ 274.21655 158.4
[M]- 274.21765 158.4
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.