CID 14696

Brn 1431874

Structural Information

Molecular Formula
C20H28FNO
SMILES
C1CCCC2(CC1)CCN(C2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H28FNO/c21-18-9-7-17(8-10-18)19(23)6-5-14-22-15-13-20(16-22)11-3-1-2-4-12-20/h7-10H,1-6,11-16H2
InChIKey
LNFNMWXLVHXWAL-UHFFFAOYSA-N
Compound name
4-(2-azaspiro[4.6]undecan-2-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.21548 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.22276 176.3
[M+Na]+ 340.20470 177.8
[M-H]- 316.20820 181.6
[M+NH4]+ 335.24930 191.4
[M+K]+ 356.17864 175.9
[M+H-H2O]+ 300.21274 167.0
[M+HCOO]- 362.21368 190.2
[M+CH3COO]- 376.22933 184.3
[M+Na-2H]- 338.19015 174.5
[M]+ 317.21493 166.5
[M]- 317.21603 166.5
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.