CID 48128

Brn 0194228

Structural Information

Molecular Formula
C18H21NO
SMILES
C1CCN(CC1)CC2=C(C=CC(=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C18H21NO/c20-18-10-9-16(15-7-3-1-4-8-15)13-17(18)14-19-11-5-2-6-12-19/h1,3-4,7-10,13,20H,2,5-6,11-12,14H2
InChIKey
PIMVNKNCUGLQQJ-UHFFFAOYSA-N
Compound name
4-phenyl-2-(piperidin-1-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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 163.9
[M+Na]+ 290.15154 168.4
[M-H]- 266.15504 169.8
[M+NH4]+ 285.19614 177.6
[M+K]+ 306.12548 162.9
[M+H-H2O]+ 250.15958 154.4
[M+HCOO]- 312.16052 181.3
[M+CH3COO]- 326.17617 173.8
[M+Na-2H]- 288.13699 167.4
[M]+ 267.16177 158.1
[M]- 267.16287 158.1
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

No patent data available for this compound.