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 166.6
[M+Na]+ 300.14895 175.3
[M-H]- 276.15245 170.9
[M+NH4]+ 295.19355 190.0
[M+K]+ 316.12289 168.9
[M+H-H2O]+ 260.15699 160.1
[M+HCOO]- 322.15793 178.7
[M+CH3COO]- 336.17358 178.0
[M+Na-2H]- 298.13440 169.5
[M]+ 277.15918 166.6
[M]- 277.16028 166.6
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.