CID 17039510

4-(4-phenoxybenzyl)-piperidine hydrochloride

Structural Information

Molecular Formula
C18H21NO
SMILES
C1CNCCC1CC2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H21NO/c1-2-4-17(5-3-1)20-18-8-6-15(7-9-18)14-16-10-12-19-13-11-16/h1-9,16,19H,10-14H2
InChIKey
DJKNMWGWPJMNMM-UHFFFAOYSA-N
Compound name
4-[(4-phenoxyphenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

267.16232 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 163.6
[M+Na]+ 290.15154 167.1
[M-H]- 266.15504 169.0
[M+NH4]+ 285.19614 176.9
[M+K]+ 306.12548 161.5
[M+H-H2O]+ 250.15958 153.9
[M+HCOO]- 312.16052 181.0
[M+CH3COO]- 326.17617 173.1
[M+Na-2H]- 288.13699 167.8
[M]+ 267.16177 157.4
[M]- 267.16287 157.4
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

patents stripe