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 156.2
[M+Na]+ 264.17226 159.1
[M-H]- 240.17576 157.0
[M+NH4]+ 259.21686 178.3
[M+K]+ 280.14620 155.9
[M+H-H2O]+ 224.18030 149.2
[M+HCOO]- 286.18124 169.9
[M+CH3COO]- 300.19689 166.1
[M+Na-2H]- 262.15771 165.4
[M]+ 241.18249 157.4
[M]- 241.18359 157.4
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