CID 44022

2-(dimethylaminomethyl)-3-phenylbicyclo(2.2.2)oct-2-ene, hydrochloride

Structural Information

Molecular Formula
C17H23N
SMILES
CN(C)CC1=C(C2CCC1CC2)C3=CC=CC=C3
InChI
InChI=1S/C17H23N/c1-18(2)12-16-13-8-10-15(11-9-13)17(16)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKey
FBAUXPUWVNJBMT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(3-phenyl-2-bicyclo[2.2.2]oct-2-enyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

241.18304 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.19032 153.1
[M+Na]+ 264.17226 165.8
[M+NH4]+ 259.21686 165.5
[M+K]+ 280.14620 156.4
[M-H]- 240.17576 156.2
[M+Na-2H]- 262.15771 155.7
[M]+ 241.18249 156.0
[M]- 241.18359 156.0
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