CID 41795

6-azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-methoxyphenyl)-, hydrobromide

Structural Information

Molecular Formula
C16H23NO
SMILES
CC1C2(CCCC(C2)N1C)C3=CC(=CC=C3)OC
InChI
InChI=1S/C16H23NO/c1-12-16(9-5-7-14(11-16)17(12)2)13-6-4-8-15(10-13)18-3/h4,6,8,10,12,14H,5,7,9,11H2,1-3H3
InChIKey
ABGHQNTZMBFYIR-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)-6,7-dimethyl-6-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.17796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.185236 159.2
[M+Na]+ 268.167178 166.4
[M-H]- 244.170684 163.7
[M+NH4]+ 263.211783 181.0
[M+K]+ 284.141118 162.5
[M+H-H2O]+ 228.175220 152.2
[M+HCOO]- 290.176161 176.5
[M+CH3COO]- 304.191811 170.9
[M+Na-2H]- 266.152626 162.3
[M]+ 245.17741142 158.0
[M]- 245.17850858 158.0
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