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]+ 232.16959 155.0
[M+Na]+ 254.15153 161.7
[M-H]- 230.15503 159.3
[M+NH4]+ 249.19613 177.0
[M+K]+ 270.12547 158.1
[M+H-H2O]+ 214.15957 147.8
[M+HCOO]- 276.16051 172.6
[M+CH3COO]- 290.17616 166.8
[M+Na-2H]- 252.13698 159.2
[M]+ 231.16176 153.1
[M]- 231.16286 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