CID 44026

Bicyclo(2.2.2)oct-2-ene-2-methylamine, 3-(3,4-dichlorophenyl)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C16H19Cl2N
SMILES
CNCC1=C(C2CCC1CC2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H19Cl2N/c1-19-9-13-10-2-4-11(5-3-10)16(13)12-6-7-14(17)15(18)8-12/h6-8,10-11,19H,2-5,9H2,1H3
InChIKey
TXSWWZSTNFTEQH-UHFFFAOYSA-N
Compound name
1-[3-(3,4-dichlorophenyl)-2-bicyclo[2.2.2]oct-2-enyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.08945 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09673 167.6
[M+Na]+ 318.07867 174.4
[M-H]- 294.08217 167.0
[M+NH4]+ 313.12327 189.0
[M+K]+ 334.05261 167.6
[M+H-H2O]+ 278.08671 163.3
[M+HCOO]- 340.08765 172.1
[M+CH3COO]- 354.10330 177.0
[M+Na-2H]- 316.06412 175.3
[M]+ 295.08890 171.9
[M]- 295.09000 171.9
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

patents stripe