CID 203650

Brn 1583400

Structural Information

Molecular Formula
C22H35NO
SMILES
C1CCC(CC1)(CCC2=CC=C(C=C2)CCCN3CCCCC3)O
InChI
InChI=1S/C22H35NO/c24-22(14-3-1-4-15-22)16-13-21-11-9-20(10-12-21)8-7-19-23-17-5-2-6-18-23/h9-12,24H,1-8,13-19H2
InChIKey
HBFROWPROFUHIT-UHFFFAOYSA-N
Compound name
1-[2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.27185 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.27913 186.4
[M+Na]+ 352.26107 185.9
[M-H]- 328.26457 190.2
[M+NH4]+ 347.30567 198.9
[M+K]+ 368.23501 180.5
[M+H-H2O]+ 312.26911 176.0
[M+HCOO]- 374.27005 198.0
[M+CH3COO]- 388.28570 206.7
[M+Na-2H]- 350.24652 186.1
[M]+ 329.27130 177.5
[M]- 329.27240 177.5
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.