CID 44012

Cis-2-(m-chlorophenyl)-3-dimethylaminomethylbicyclo(2.2.2)octane hydrochloride

Structural Information

Molecular Formula
C17H24ClN
SMILES
CN(C)C[C@H]1[C@H](C2CCC1CC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H24ClN/c1-19(2)11-16-12-6-8-13(9-7-12)17(16)14-4-3-5-15(18)10-14/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3/t12?,13?,16-,17-/m1/s1
InChIKey
XAYGSYISSLIYTN-DNDXXGFKSA-N
Compound name
1-[(2R,3S)-3-(3-chlorophenyl)-2-bicyclo[2.2.2]octanyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.15973 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16701 159.6
[M+Na]+ 300.14895 172.6
[M+NH4]+ 295.19355 172.1
[M+K]+ 316.12289 162.7
[M-H]- 276.15245 162.6
[M+Na-2H]- 298.13440 161.2
[M]+ 277.15918 162.8
[M]- 277.16028 162.8
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.