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]+ 246.18524 159.2
[M+Na]+ 268.16718 166.4
[M-H]- 244.17068 163.7
[M+NH4]+ 263.21178 181.0
[M+K]+ 284.14112 162.5
[M+H-H2O]+ 228.17522 152.2
[M+HCOO]- 290.17616 176.5
[M+CH3COO]- 304.19181 170.9
[M+Na-2H]- 266.15263 162.3
[M]+ 245.17741 158.0
[M]- 245.17851 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