CID 44014

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

Structural Information

Molecular Formula
C17H24FN
SMILES
CN(C)C[C@H]1[C@H](C2CCC1CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H24FN/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
PCEVUMPUULAMHP-DNDXXGFKSA-N
Compound name
1-[(2R,3S)-3-(4-fluorophenyl)-2-bicyclo[2.2.2]octanyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.18927 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19655 161.5
[M+Na]+ 284.17849 164.4
[M-H]- 260.18199 160.9
[M+NH4]+ 279.22309 183.0
[M+K]+ 300.15243 160.9
[M+H-H2O]+ 244.18653 153.8
[M+HCOO]- 306.18747 172.6
[M+CH3COO]- 320.20312 170.6
[M+Na-2H]- 282.16394 168.3
[M]+ 261.18872 160.6
[M]- 261.18982 160.6
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