CID 162171

4-phenyl-4-piperidinocyclohexanol

Structural Information

Molecular Formula
C17H25NO
SMILES
C1CCN(CC1)C2(CCC(CC2)O)C3=CC=CC=C3
InChI
InChI=1S/C17H25NO/c19-16-9-11-17(12-10-16,15-7-3-1-4-8-15)18-13-5-2-6-14-18/h1,3-4,7-8,16,19H,2,5-6,9-14H2
InChIKey
KPRUAZBLIREHPD-UHFFFAOYSA-N
Compound name
4-phenyl-4-piperidin-1-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

56
Patents

259.1936 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 165.0
[M+Na]+ 282.18282 166.9
[M-H]- 258.18632 170.0
[M+NH4]+ 277.22742 180.5
[M+K]+ 298.15676 162.6
[M+H-H2O]+ 242.19086 155.7
[M+HCOO]- 304.19180 178.4
[M+CH3COO]- 318.20745 173.7
[M+Na-2H]- 280.16827 167.4
[M]+ 259.19305 154.5
[M]- 259.19415 154.5
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

patents stripe