CID 45075394

3-(2-benzylphenoxy)piperidine

Structural Information

Molecular Formula
C18H21NO
SMILES
C1CC(CNC1)OC2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C18H21NO/c1-2-7-15(8-3-1)13-16-9-4-5-11-18(16)20-17-10-6-12-19-14-17/h1-5,7-9,11,17,19H,6,10,12-14H2
InChIKey
ZDLQOHMCALKCGB-UHFFFAOYSA-N
Compound name
3-(2-benzylphenoxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 166.1
[M+Na]+ 290.15154 180.7
[M+NH4]+ 285.19614 175.4
[M+K]+ 306.12548 171.2
[M-H]- 266.15504 172.6
[M+Na-2H]- 288.13699 176.5
[M]+ 267.16177 170.1
[M]- 267.16287 170.1
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.