CID 3025442

J.l. 1295

Structural Information

Molecular Formula
C22H35NO
SMILES
C1CCC(CC1)C(C2=CC=CC=C2)OCCCCN3CCCCC3
InChI
InChI=1S/C22H35NO/c1-4-12-20(13-5-1)22(21-14-6-2-7-15-21)24-19-11-10-18-23-16-8-3-9-17-23/h1,4-5,12-13,21-22H,2-3,6-11,14-19H2
InChIKey
HJHGUGJASZFQTB-UHFFFAOYSA-N
Compound name
1-[4-[cyclohexyl(phenyl)methoxy]butyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.27185 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.27913 185.4
[M+Na]+ 352.26107 182.9
[M-H]- 328.26457 189.7
[M+NH4]+ 347.30567 196.0
[M+K]+ 368.23501 178.5
[M+H-H2O]+ 312.26911 174.2
[M+HCOO]- 374.27005 197.3
[M+CH3COO]- 388.28570 209.4
[M+Na-2H]- 350.24652 184.0
[M]+ 329.27130 176.8
[M]- 329.27240 176.8
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.