CID 3087088

J.l. 1289

Structural Information

Molecular Formula
C19H29NO
SMILES
C1CCC(CC1)(C2=CC=CC=C2)OCCN3CCCCC3
InChI
InChI=1S/C19H29NO/c1-4-10-18(11-5-1)19(12-6-2-7-13-19)21-17-16-20-14-8-3-9-15-20/h1,4-5,10-11H,2-3,6-9,12-17H2
InChIKey
JQOKYXYGZSNWKF-UHFFFAOYSA-N
Compound name
1-[2-(1-phenylcyclohexyl)oxyethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.2249 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.232176 173.5
[M+Na]+ 310.214118 173.8
[M-H]- 286.217624 178.9
[M+NH4]+ 305.258723 188.0
[M+K]+ 326.188058 169.9
[M+H-H2O]+ 270.222160 163.0
[M+HCOO]- 332.223101 187.6
[M+CH3COO]- 346.238751 181.4
[M+Na-2H]- 308.199566 175.7
[M]+ 287.22435142 164.9
[M]- 287.22544858 164.9
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.