CID 39215

Brn 1478953

Structural Information

Molecular Formula
C17H25NO2
SMILES
CN1CC2CCCC(C1)C2(C3=CC(=CC=C3)OC)OC
InChI
InChI=1S/C17H25NO2/c1-18-11-14-7-4-8-15(12-18)17(14,20-3)13-6-5-9-16(10-13)19-2/h5-6,9-10,14-15H,4,7-8,11-12H2,1-3H3
InChIKey
SSAITGREIRMGKA-UHFFFAOYSA-N
Compound name
9-methoxy-9-(3-methoxyphenyl)-3-methyl-3-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 166.9
[M+Na]+ 298.177758 172.4
[M-H]- 274.181264 170.6
[M+NH4]+ 293.222363 185.3
[M+K]+ 314.151698 169.2
[M+H-H2O]+ 258.185800 158.5
[M+HCOO]- 320.186741 181.6
[M+CH3COO]- 334.202391 201.2
[M+Na-2H]- 296.163206 171.2
[M]+ 275.18799142 165.2
[M]- 275.18908858 165.2
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.