CID 14177

Brn 1430820

Structural Information

Molecular Formula
C19H26FNO
SMILES
C1CCC2(C1)CCCN(C2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H26FNO/c20-17-8-6-16(7-9-17)18(22)5-3-13-21-14-4-12-19(15-21)10-1-2-11-19/h6-9H,1-5,10-15H2
InChIKey
IKFCOQHPBSKXFY-UHFFFAOYSA-N
Compound name
4-(7-azaspiro[4.5]decan-7-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.19983 Da
Monoisotopic Mass

4.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.