CID 48712

7-ethyl-1-(m-methoxyphenyl)-6-methyl-6-azabicyclo(3.2.1)octane hydrobromide

Structural Information

Molecular Formula
C17H25NO
SMILES
CCC1C2(CCCC(C2)N1C)C3=CC(=CC=C3)OC
InChI
InChI=1S/C17H25NO/c1-4-16-17(10-6-8-14(12-17)18(16)2)13-7-5-9-15(11-13)19-3/h5,7,9,11,14,16H,4,6,8,10,12H2,1-3H3
InChIKey
ZNVRWXYSVZNVDA-UHFFFAOYSA-N
Compound name
7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 163.8
[M+Na]+ 282.182818 170.5
[M-H]- 258.186324 168.0
[M+NH4]+ 277.227423 185.0
[M+K]+ 298.156758 166.5
[M+H-H2O]+ 242.190860 156.6
[M+HCOO]- 304.191801 180.7
[M+CH3COO]- 318.207451 175.1
[M+Na-2H]- 280.168266 166.3
[M]+ 259.19305142 163.0
[M]- 259.19414858 163.0
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

patents stripe