CID 44038

Bicyclo(2.2.2)oct-2-ene-2-methylamine, 3-(p-chlorophenyl)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C17H22ClN
SMILES
CN(C)CC1=C(C2CCC1CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H22ClN/c1-19(2)11-16-12-3-5-13(6-4-12)17(16)14-7-9-15(18)10-8-14/h7-10,12-13H,3-6,11H2,1-2H3
InChIKey
PHYFCVJCTIGQAG-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-2-bicyclo[2.2.2]oct-2-enyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.14407 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15135 165.0
[M+Na]+ 298.13329 169.8
[M-H]- 274.13679 165.9
[M+NH4]+ 293.17789 187.0
[M+K]+ 314.10723 165.0
[M+H-H2O]+ 258.14133 159.1
[M+HCOO]- 320.14227 174.3
[M+CH3COO]- 334.15792 174.8
[M+Na-2H]- 296.11874 172.9
[M]+ 275.14352 168.9
[M]- 275.14462 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

patents stripe