CID 3064358

4-piperidinol, 4-phenyl-1-(2-phenylcyclopropyl)-, hydrochloride, (e)-

Structural Information

Molecular Formula
C20H23NO
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI
InChI=1S/C20H23NO/c22-20(17-9-5-2-6-10-17)11-13-21(14-12-20)19-15-18(19)16-7-3-1-4-8-16/h1-10,18-19,22H,11-15H2/t18-,19+/m0/s1
InChIKey
LGVBVLQCTGFLTD-RBUKOAKNSA-N
Compound name
4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 169.5
[M+Na]+ 316.16720 175.9
[M-H]- 292.17070 179.0
[M+NH4]+ 311.21180 179.4
[M+K]+ 332.14114 171.2
[M+H-H2O]+ 276.17524 160.3
[M+HCOO]- 338.17618 187.0
[M+CH3COO]- 352.19183 179.2
[M+Na-2H]- 314.15265 173.2
[M]+ 293.17743 166.0
[M]- 293.17853 166.0
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.