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]+ 318.24275 179.7
[M+Na]+ 340.22469 179.8
[M-H]- 316.22819 185.2
[M+NH4]+ 335.26929 191.4
[M+K]+ 356.19863 176.6
[M+H-H2O]+ 300.23273 169.6
[M+HCOO]- 362.23367 192.1
[M+CH3COO]- 376.24932 206.3
[M+Na-2H]- 338.21014 180.9
[M]+ 317.23492 172.7
[M]- 317.23602 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.