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]+ 274.16018 163.4
[M+Na]+ 296.14212 167.1
[M-H]- 272.14562 160.2
[M+NH4]+ 291.18672 182.4
[M+K]+ 312.11606 162.4
[M+H-H2O]+ 256.15016 154.9
[M+HCOO]- 318.15110 172.7
[M+CH3COO]- 332.16675 171.8
[M+Na-2H]- 294.12757 171.3
[M]+ 273.15235 163.9
[M]- 273.15345 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.