CID 6153

Brn 1348998

Structural Information

Molecular Formula
C21H30FNO
SMILES
C1CCCC2(CC1)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H30FNO/c22-19-9-7-18(8-10-19)20(24)6-5-15-23-16-13-21(14-17-23)11-3-1-2-4-12-21/h7-10H,1-6,11-17H2
InChIKey
OQGJEPJBGPMRBJ-UHFFFAOYSA-N
Compound name
4-(3-azaspiro[5.6]dodecan-3-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.23114 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.23842 179.9
[M+Na]+ 354.22036 180.1
[M-H]- 330.22386 184.3
[M+NH4]+ 349.26496 192.5
[M+K]+ 370.19430 178.7
[M+H-H2O]+ 314.22840 170.0
[M+HCOO]- 376.22934 191.2
[M+CH3COO]- 390.24499 186.7
[M+Na-2H]- 352.20581 179.2
[M]+ 331.23059 168.2
[M]- 331.23169 168.2
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.