CID 3063752

101564-43-6

Structural Information

Molecular Formula
C20H27NO3
SMILES
CN1CCC(CC1)OC(=O)C(C2=CCCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H27NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-10,18,23H,3,6-7,11-15H2,1H3
InChIKey
WLSZAGLRMSFIPL-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.206376 180.1
[M+Na]+ 352.188318 180.8
[M-H]- 328.191824 184.9
[M+NH4]+ 347.232923 190.5
[M+K]+ 368.162258 177.1
[M+H-H2O]+ 312.196360 170.5
[M+HCOO]- 374.197301 191.9
[M+CH3COO]- 388.212951 205.0
[M+Na-2H]- 350.173766 181.1
[M]+ 329.19855142 172.8
[M]- 329.19964858 172.8
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.