CID 215512

35806-08-7

Structural Information

Molecular Formula
C17H20FNO
SMILES
C1CC2C=CC1CN2CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H20FNO/c18-15-7-5-14(6-8-15)17(20)2-1-11-19-12-13-3-9-16(19)10-4-13/h3,5-9,13,16H,1-2,4,10-12H2
InChIKey
LXKMNDTTXYRODP-UHFFFAOYSA-N
Compound name
4-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1529 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.160176 163.4
[M+Na]+ 296.142118 167.1
[M-H]- 272.145624 160.2
[M+NH4]+ 291.186723 182.4
[M+K]+ 312.116058 162.4
[M+H-H2O]+ 256.150160 154.9
[M+HCOO]- 318.151101 172.7
[M+CH3COO]- 332.166751 171.8
[M+Na-2H]- 294.127566 171.3
[M]+ 273.15235142 163.9
[M]- 273.15344858 163.9
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

No patent data available for this compound.