CID 120871

1-piperidineethanol, alpha-(2,2-diphenylethyl)-

Structural Information

Molecular Formula
C21H27NO
SMILES
C1CCN(CC1)CC(CC(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C21H27NO/c23-20(17-22-14-8-3-9-15-22)16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21,23H,3,8-9,14-17H2
InChIKey
AQMJLTHNADAXCX-UHFFFAOYSA-N
Compound name
4,4-diphenyl-1-piperidin-1-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 176.9
[M+Na]+ 332.198478 177.4
[M-H]- 308.201984 181.5
[M+NH4]+ 327.243083 187.9
[M+K]+ 348.172418 172.2
[M+H-H2O]+ 292.206520 166.7
[M+HCOO]- 354.207461 191.2
[M+CH3COO]- 368.223111 184.4
[M+Na-2H]- 330.183926 177.8
[M]+ 309.20871142 170.0
[M]- 309.20980858 170.0
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.