CID 3033211

Cis-2-(p-bromophenyl)-3-methylaminomethylbicyclo(2.2.2)octane, hydrochloride

Structural Information

Molecular Formula
C16H22BrN
SMILES
CNC[C@H]1[C@H](C2CCC1CC2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H22BrN/c1-18-10-15-11-2-4-12(5-3-11)16(15)13-6-8-14(17)9-7-13/h6-9,11-12,15-16,18H,2-5,10H2,1H3/t11?,12?,15-,16-/m1/s1
InChIKey
SFNMQTIMXJGJSR-DCNYZXSGSA-N
Compound name
1-[(2R,3S)-3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.09357 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10085 167.5
[M+Na]+ 330.08279 173.4
[M-H]- 306.08629 169.5
[M+NH4]+ 325.12739 189.8
[M+K]+ 346.05673 162.0
[M+H-H2O]+ 290.09083 167.1
[M+HCOO]- 352.09177 177.7
[M+CH3COO]- 366.10742 178.0
[M+Na-2H]- 328.06824 176.4
[M]+ 307.09302 184.3
[M]- 307.09412 184.3
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