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]+ 318.24275 180.1
[M+Na]+ 340.22469 180.4
[M-H]- 316.22819 185.8
[M+NH4]+ 335.26929 191.9
[M+K]+ 356.19863 177.2
[M+H-H2O]+ 300.23273 169.7
[M+HCOO]- 362.23367 193.0
[M+CH3COO]- 376.24932 207.8
[M+Na-2H]- 338.21014 178.5
[M]+ 317.23492 173.2
[M]- 317.23602 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.