CID 41797

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

Structural Information

Molecular Formula
C15H21NO
SMILES
CN1CC2(CCCC1C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C15H21NO/c1-16-11-15(8-4-6-13(16)10-15)12-5-3-7-14(9-12)17-2/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3
InChIKey
ORHIDWGJUMDDCY-UHFFFAOYSA-N
Compound name
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

231.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 155.0
[M+Na]+ 254.151528 161.7
[M-H]- 230.155034 159.3
[M+NH4]+ 249.196133 177.0
[M+K]+ 270.125468 158.1
[M+H-H2O]+ 214.159570 147.8
[M+HCOO]- 276.160511 172.6
[M+CH3COO]- 290.176161 166.8
[M+Na-2H]- 252.136976 159.2
[M]+ 231.16176142 153.1
[M]- 231.16285858 153.1
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