CID 6159

64-61-9

Structural Information

Molecular Formula
C20H28FNO
SMILES
CC1CCC2(C1)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H28FNO/c1-16-8-9-20(15-16)10-13-22(14-11-20)12-2-3-19(23)17-4-6-18(21)7-5-17/h4-7,16H,2-3,8-15H2,1H3
InChIKey
KZGVFLXTABUVAM-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(3-methyl-8-azaspiro[4.5]decan-8-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.21548 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.22276 179.9
[M+Na]+ 340.20470 183.5
[M-H]- 316.20820 184.4
[M+NH4]+ 335.24930 196.5
[M+K]+ 356.17864 178.4
[M+H-H2O]+ 300.21274 170.2
[M+HCOO]- 362.21368 194.1
[M+CH3COO]- 376.22933 206.8
[M+Na-2H]- 338.19015 177.5
[M]+ 317.21493 173.2
[M]- 317.21603 173.2
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.