CID 40534

Trans-lr 5182

Structural Information

Molecular Formula
C17H23Cl2N
SMILES
CN(C)C[C@@H]1C2CCC(C1C3=CC(=C(C=C3)Cl)Cl)CC2
InChI
InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17?/m1/s1
InChIKey
JOQQHMGSIKNGAF-CKNPLGRMSA-N
Compound name
1-[(2R)-3-(3,4-dichlorophenyl)-2-bicyclo[2.2.2]octanyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

311.12076 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12804 173.9
[M+Na]+ 334.10998 179.2
[M-H]- 310.11348 174.0
[M+NH4]+ 329.15458 195.0
[M+K]+ 350.08392 173.5
[M+H-H2O]+ 294.11802 169.1
[M+HCOO]- 356.11896 176.9
[M+CH3COO]- 370.13461 182.7
[M+Na-2H]- 332.09543 179.2
[M]+ 311.12021 178.1
[M]- 311.12131 178.1
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.