CID 31727

18656-06-9

Structural Information

Molecular Formula
C20H31NO2
SMILES
COC1=CC=C(C=C1)C(C2CCCCC2N3CCCCC3)OC
InChI
InChI=1S/C20H31NO2/c1-22-17-12-10-16(11-13-17)20(23-2)18-8-4-5-9-19(18)21-14-6-3-7-15-21/h10-13,18-20H,3-9,14-15H2,1-2H3
InChIKey
JCOVTQVCCJCVNG-UHFFFAOYSA-N
Compound name
1-[2-[methoxy-(4-methoxyphenyl)methyl]cyclohexyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.242746 180.1
[M+Na]+ 340.224688 180.4
[M-H]- 316.228194 185.8
[M+NH4]+ 335.269293 191.9
[M+K]+ 356.198628 177.2
[M+H-H2O]+ 300.232730 169.7
[M+HCOO]- 362.233671 193.0
[M+CH3COO]- 376.249321 207.8
[M+Na-2H]- 338.210136 178.5
[M]+ 317.23492142 173.2
[M]- 317.23601858 173.2
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.