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]+ 260.20088 163.8
[M+Na]+ 282.18282 170.5
[M-H]- 258.18632 168.0
[M+NH4]+ 277.22742 185.0
[M+K]+ 298.15676 166.5
[M+H-H2O]+ 242.19086 156.6
[M+HCOO]- 304.19180 180.7
[M+CH3COO]- 318.20745 175.1
[M+Na-2H]- 280.16827 166.3
[M]+ 259.19305 163.0
[M]- 259.19415 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