CID 209922

20763-36-4

Structural Information

Molecular Formula
C21H28N
SMILES
C[N+]1(CCCCC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H28N/c1-22(16-9-4-10-17-22)18-15-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,21H,4,9-10,15-18H2,1H3/q+1
InChIKey
OSKUMSQGAHYCQV-UHFFFAOYSA-N
Compound name
1-(3,3-diphenylpropyl)-1-methylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.22217 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22945 176.3
[M+Na]+ 317.21139 178.3
[M-H]- 293.21489 182.7
[M+NH4]+ 312.25599 190.7
[M+K]+ 333.18533 167.5
[M+H-H2O]+ 277.21943 168.6
[M+HCOO]- 339.22037 192.3
[M+CH3COO]- 353.23602 196.6
[M+Na-2H]- 315.19684 181.3
[M]+ 294.22162 169.1
[M]- 294.22272 169.1
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.