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 177.8
[M+Na]+ 324.22979 177.6
[M-H]- 300.23329 182.9
[M+NH4]+ 319.27439 191.7
[M+K]+ 340.20373 173.5
[M+H-H2O]+ 284.23783 167.0
[M+HCOO]- 346.23877 191.6
[M+CH3COO]- 360.25442 185.3
[M+Na-2H]- 322.21524 179.5
[M]+ 301.24002 169.5
[M]- 301.24112 169.5
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.