CID 6161

64-64-2

Structural Information

Molecular Formula
C19H26FNO
SMILES
C1CCC2(C1)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H26FNO/c20-17-7-5-16(6-8-17)18(22)4-3-13-21-14-11-19(12-15-21)9-1-2-10-19/h5-8H,1-4,9-15H2
InChIKey
FYSKJBITNYKPBE-UHFFFAOYSA-N
Compound name
4-(8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

303.19983 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20711 175.9
[M+Na]+ 326.18905 179.0
[M-H]- 302.19255 180.2
[M+NH4]+ 321.23365 192.7
[M+K]+ 342.16299 174.1
[M+H-H2O]+ 286.19709 166.1
[M+HCOO]- 348.19803 190.5
[M+CH3COO]- 362.21368 202.7
[M+Na-2H]- 324.17450 174.7
[M]+ 303.19928 168.5
[M]- 303.20038 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe