CID 14647

3-(p-chlorobenzyl)-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane hydrochloride

Structural Information

Molecular Formula
C17H24ClN
SMILES
CC1(C2CCC1(CN(C2)CC3=CC=C(C=C3)Cl)C)C
InChI
InChI=1S/C17H24ClN/c1-16(2)14-8-9-17(16,3)12-19(11-14)10-13-4-6-15(18)7-5-13/h4-7,14H,8-12H2,1-3H3
InChIKey
LIOMIXURVUPORS-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.15973 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16701 165.1
[M+Na]+ 300.14895 178.6
[M+NH4]+ 295.19355 178.5
[M+K]+ 316.12289 167.2
[M-H]- 276.15245 169.0
[M+Na-2H]- 298.13440 172.8
[M]+ 277.15918 168.9
[M]- 277.16028 168.9
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

No patent data available for this compound.