CID 3048076

63885-11-0

Structural Information

Molecular Formula
C19H29NO
SMILES
CC1=CC(=CC=C1)C2(CCC(CC2)N3CCCCC3)OC
InChI
InChI=1S/C19H29NO/c1-16-7-6-8-17(15-16)19(21-2)11-9-18(10-12-19)20-13-4-3-5-14-20/h6-8,15,18H,3-5,9-14H2,1-2H3
InChIKey
ROLOQLFLZPBXLY-UHFFFAOYSA-N
Compound name
1-[4-methoxy-4-(3-methylphenyl)cyclohexyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.2249 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.23218 173.1
[M+Na]+ 310.21412 175.4
[M-H]- 286.21762 179.4
[M+NH4]+ 305.25872 188.5
[M+K]+ 326.18806 171.6
[M+H-H2O]+ 270.22216 163.2
[M+HCOO]- 332.22310 187.3
[M+CH3COO]- 346.23875 182.0
[M+Na-2H]- 308.19957 174.1
[M]+ 287.22435 165.5
[M]- 287.22545 165.5
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.