CID 1734

4-diphenylacetoxy-1,1-dimethylpiperidinium

Structural Information

Molecular Formula
C21H26NO2
SMILES
C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
InChIKey
HYJRTXSYDAFGJK-UHFFFAOYSA-N
Compound name
(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

501
References

655
Patents

324.19635 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20363 181.9
[M+Na]+ 347.18557 184.7
[M-H]- 323.18907 189.0
[M+NH4]+ 342.23017 195.2
[M+K]+ 363.15951 175.1
[M+H-H2O]+ 307.19361 174.5
[M+HCOO]- 369.19455 197.5
[M+CH3COO]- 383.21020 200.6
[M+Na-2H]- 345.17102 185.4
[M]+ 324.19580 176.5
[M]- 324.19690 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe