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 188.0
[M+Na]+ 352.26107 198.6
[M+NH4]+ 347.30567 196.6
[M+K]+ 368.23501 189.2
[M-H]- 328.26457 193.9
[M+Na-2H]- 350.24652 194.9
[M]+ 329.27130 191.1
[M]- 329.27240 191.1
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.