CID 833992

(1s,2s)-2-(4-phenyl-1-piperidinyl)cyclohexanol

Structural Information

Molecular Formula
C17H25NO
SMILES
C1CC[C@@H]([C@H](C1)N2CCC(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m0/s1
InChIKey
YSSBJODGIYRAMI-IRXDYDNUSA-N
Compound name
(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

288
References

528
Patents

259.1936 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 164.0
[M+Na]+ 282.18282 165.7
[M-H]- 258.18632 168.9
[M+NH4]+ 277.22742 177.7
[M+K]+ 298.15676 161.1
[M+H-H2O]+ 242.19086 154.6
[M+HCOO]- 304.19180 177.3
[M+CH3COO]- 318.20745 172.6
[M+Na-2H]- 280.16827 164.8
[M]+ 259.19305 153.6
[M]- 259.19415 153.6
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