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]+ 276.19582 166.9
[M+Na]+ 298.17776 172.4
[M-H]- 274.18126 170.6
[M+NH4]+ 293.22236 185.3
[M+K]+ 314.15170 169.2
[M+H-H2O]+ 258.18580 158.5
[M+HCOO]- 320.18674 181.6
[M+CH3COO]- 334.20239 201.2
[M+Na-2H]- 296.16321 171.2
[M]+ 275.18799 165.2
[M]- 275.18909 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.