CID 37472

36524-92-2

Structural Information

Molecular Formula
C19H25FN2O
SMILES
C1CC2CCC(C(C1)C2=O)N3CCN(CC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H25FN2O/c20-15-5-7-16(8-6-15)21-10-12-22(13-11-21)18-9-4-14-2-1-3-17(18)19(14)23/h5-8,14,17-18H,1-4,9-13H2
InChIKey
LWKVXWLBICKRSI-UHFFFAOYSA-N
Compound name
2-[4-(4-fluorophenyl)piperazin-1-yl]bicyclo[3.3.1]nonan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1951 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20238 178.3
[M+Na]+ 339.18432 181.3
[M-H]- 315.18782 180.9
[M+NH4]+ 334.22892 190.5
[M+K]+ 355.15826 175.3
[M+H-H2O]+ 299.19236 166.2
[M+HCOO]- 361.19330 186.5
[M+CH3COO]- 375.20895 185.3
[M+Na-2H]- 337.16977 177.9
[M]+ 316.19455 167.5
[M]- 316.19565 167.5
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.