CID 202329

10125-84-5

Structural Information

Molecular Formula
C15H24N
SMILES
CC(C)[N+]1(CCC(CC1)C2=CC=CC=C2)C
InChI
InChI=1S/C15H24N/c1-13(2)16(3)11-9-15(10-12-16)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/q+1
InChIKey
YMFNAIWZCQCDDK-UHFFFAOYSA-N
Compound name
1-methyl-4-phenyl-1-propan-2-ylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

533
Patents

218.19087 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.19815 152.5
[M+Na]+ 241.18009 157.0
[M-H]- 217.18359 157.1
[M+NH4]+ 236.22469 171.3
[M+K]+ 257.15403 148.6
[M+H-H2O]+ 201.18813 147.8
[M+HCOO]- 263.18907 169.5
[M+CH3COO]- 277.20472 183.7
[M+Na-2H]- 239.16554 158.3
[M]+ 218.19032 146.5
[M]- 218.19142 146.5
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.