CID 53868701

Ms049

Structural Information

Molecular Formula
C15H24N2O
SMILES
CNCCN1CCC(CC1)OCC2=CC=CC=C2
InChI
InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
InChIKey
HBOJWAYLSJLULG-UHFFFAOYSA-N
Compound name
N-methyl-2-(4-phenylmethoxypiperidin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

24
Patents

248.18886 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 159.9
[M+Na]+ 271.178078 162.9
[M-H]- 247.181584 163.6
[M+NH4]+ 266.222683 174.9
[M+K]+ 287.152018 159.7
[M+H-H2O]+ 231.186120 150.8
[M+HCOO]- 293.187061 179.5
[M+CH3COO]- 307.202711 196.7
[M+Na-2H]- 269.163526 164.1
[M]+ 248.18831142 156.5
[M]- 248.18940858 156.5
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.