CID 6160

64-63-1

Structural Information

Molecular Formula
C18H24FNO
SMILES
C1CCC2(C1)CCN(C2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H24FNO/c19-16-7-5-15(6-8-16)17(21)4-3-12-20-13-11-18(14-20)9-1-2-10-18/h5-8H,1-4,9-14H2
InChIKey
QQNMJHWOEIAQNU-UHFFFAOYSA-N
Compound name
4-(2-azaspiro[4.4]nonan-2-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1842 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19148 172.0
[M+Na]+ 312.17342 176.4
[M-H]- 288.17692 177.1
[M+NH4]+ 307.21802 191.4
[M+K]+ 328.14736 171.9
[M+H-H2O]+ 272.18146 163.2
[M+HCOO]- 334.18240 189.2
[M+CH3COO]- 348.19805 199.5
[M+Na-2H]- 310.15887 169.7
[M]+ 289.18365 166.6
[M]- 289.18475 166.6
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.