CID 3025262

J.l. 1287

Structural Information

Molecular Formula
C20H31NO
SMILES
C1CCC(CC1)(C2=CC=CC=C2)OCCCN3CCCCC3
InChI
InChI=1S/C20H31NO/c1-4-11-19(12-5-1)20(13-6-2-7-14-20)22-18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12H,2-3,6-10,13-18H2
InChIKey
YFJLAYHWAFXYCK-UHFFFAOYSA-N
Compound name
1-[3-(1-phenylcyclohexyl)oxypropyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.24057 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.24785 180.2
[M+Na]+ 324.22979 191.9
[M+NH4]+ 319.27439 190.8
[M+K]+ 340.20373 180.4
[M-H]- 300.23329 186.5
[M+Na-2H]- 322.21524 189.5
[M]+ 301.24002 183.8
[M]- 301.24112 183.8
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.