CID 215516

Brn 1647638

Structural Information

Molecular Formula
C19H26FNO
SMILES
CC(CCC(=O)C1=CC=C(C=C1)F)N2CC3CCC(C2)CC3
InChI
InChI=1S/C19H26FNO/c1-14(21-12-15-3-4-16(13-21)6-5-15)2-11-19(22)17-7-9-18(20)10-8-17/h7-10,14-16H,2-6,11-13H2,1H3
InChIKey
GVGRGFQZLYTPPK-UHFFFAOYSA-N
Compound name
4-(3-azabicyclo[3.2.2]nonan-3-yl)-1-(4-fluorophenyl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.19983 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20711 174.2
[M+Na]+ 326.18905 180.3
[M-H]- 302.19255 175.5
[M+NH4]+ 321.23365 190.7
[M+K]+ 342.16299 176.3
[M+H-H2O]+ 286.19709 173.0
[M+HCOO]- 348.19803 181.8
[M+CH3COO]- 362.21368 181.7
[M+Na-2H]- 324.17450 179.3
[M]+ 303.19928 171.8
[M]- 303.20038 171.8
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.