CID 27612

15997-69-0

Structural Information

Molecular Formula
C20H28FNO
SMILES
CC1(C2CCC1(CN(C2)CCCC(=O)C3=CC=C(C=C3)F)C)C
InChI
InChI=1S/C20H28FNO/c1-19(2)16-10-11-20(19,3)14-22(13-16)12-4-5-18(23)15-6-8-17(21)9-7-15/h6-9,16H,4-5,10-14H2,1-3H3
InChIKey
IZDAHGQRPHCQFA-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.21548 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.22276 178.6
[M+Na]+ 340.20470 185.0
[M-H]- 316.20820 181.2
[M+NH4]+ 335.24930 199.1
[M+K]+ 356.17864 179.9
[M+H-H2O]+ 300.21274 170.5
[M+HCOO]- 362.21368 192.5
[M+CH3COO]- 376.22933 209.9
[M+Na-2H]- 338.19015 178.9
[M]+ 317.21493 176.7
[M]- 317.21603 176.7
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.