CID 44030

Bicyclo(2.2.2)octane-2-methylamine, 3-(p-bromophenyl)-n,n-dimethyl-, hydrochloride, (z)-

Structural Information

Molecular Formula
C17H24BrN
SMILES
CN(C)C[C@H]1[C@H](C2CCC1CC2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H24BrN/c1-19(2)11-16-12-3-5-13(6-4-12)17(16)14-7-9-15(18)10-8-14/h7-10,12-13,16-17H,3-6,11H2,1-2H3/t12?,13?,16-,17-/m1/s1
InChIKey
SCMROGTUBYYZAI-DNDXXGFKSA-N
Compound name
1-[(2R,3S)-3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

321.10922 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11650 166.3
[M+Na]+ 344.09844 168.6
[M+NH4]+ 339.14304 174.0
[M+K]+ 360.07238 165.9
[M-H]- 320.10194 167.2
[M+Na-2H]- 342.08389 164.5
[M]+ 321.10867 165.8
[M]- 321.10977 165.8
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