CID 212355

24227-05-2

Structural Information

Molecular Formula
C20H31NO2
SMILES
COC(C1CCCCC1N2CCCCC2)(C3=CC=CC=C3)OC
InChI
InChI=1S/C20H31NO2/c1-22-20(23-2,17-11-5-3-6-12-17)18-13-7-8-14-19(18)21-15-9-4-10-16-21/h3,5-6,11-12,18-19H,4,7-10,13-16H2,1-2H3
InChIKey
QGXUPXDFNVRXFN-UHFFFAOYSA-N
Compound name
1-[2-[dimethoxy(phenyl)methyl]cyclohexyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.242746 179.7
[M+Na]+ 340.224688 179.8
[M-H]- 316.228194 185.2
[M+NH4]+ 335.269293 191.4
[M+K]+ 356.198628 176.6
[M+H-H2O]+ 300.232730 169.6
[M+HCOO]- 362.233671 192.1
[M+CH3COO]- 376.249321 206.3
[M+Na-2H]- 338.210136 180.9
[M]+ 317.23492142 172.7
[M]- 317.23601858 172.7
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.