CID 3033209

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

Structural Information

Molecular Formula
C16H22FN
SMILES
CNC[C@H]1[C@H](C2CCC1CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H22FN/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
SKBAOOKLMMHPTH-DCNYZXSGSA-N
Compound name
1-[(2R,3S)-3-(4-fluorophenyl)-2-bicyclo[2.2.2]octanyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.17363 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.18091 155.7
[M+Na]+ 270.16285 159.2
[M-H]- 246.16635 154.0
[M+NH4]+ 265.20745 177.3
[M+K]+ 286.13679 154.5
[M+H-H2O]+ 230.17089 148.5
[M+HCOO]- 292.17183 166.9
[M+CH3COO]- 306.18748 164.9
[M+Na-2H]- 268.14830 164.1
[M]+ 247.17308 153.6
[M]- 247.17418 153.6
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