CID 14186

1096-06-6

Structural Information

Molecular Formula
C20H29FNO
SMILES
C[N+]1(CCC2(CCCC2)CC1)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H29FNO/c1-22(15-12-20(13-16-22)10-2-3-11-20)14-4-5-19(23)17-6-8-18(21)9-7-17/h6-9H,2-5,10-16H2,1H3/q+1
InChIKey
DSQXSWDAIMJFHF-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(8-methyl-8-azoniaspiro[4.5]decan-8-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.22333 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23061 180.7
[M+Na]+ 341.21255 184.1
[M-H]- 317.21605 185.4
[M+NH4]+ 336.25715 198.8
[M+K]+ 357.18649 173.6
[M+H-H2O]+ 301.22059 173.8
[M+HCOO]- 363.22153 194.5
[M+CH3COO]- 377.23718 198.7
[M+Na-2H]- 339.19800 182.1
[M]+ 318.22278 172.3
[M]- 318.22388 172.3
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.