CID 497630

Schembl9562096

Structural Information

Molecular Formula
C24H32FNO
SMILES
C1CC2(CCCN2C1)C(C3C4CC5CC(C4)CC3C5)(C6=CC=C(C=C6)F)O
InChI
InChI=1S/C24H32FNO/c25-21-5-3-20(4-6-21)24(27,23-7-1-9-26(23)10-2-8-23)22-18-12-16-11-17(14-18)15-19(22)13-16/h3-6,16-19,22,27H,1-2,7-15H2
InChIKey
DKYOFJWQRDXRIY-UHFFFAOYSA-N
Compound name
2-adamantyl-(4-fluorophenyl)-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

369.2468 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.25408 182.9
[M+Na]+ 392.23602 182.2
[M-H]- 368.23952 180.3
[M+NH4]+ 387.28062 203.5
[M+K]+ 408.20996 175.0
[M+H-H2O]+ 352.24406 173.1
[M+HCOO]- 414.24500 181.1
[M+CH3COO]- 428.26065 187.4
[M+Na-2H]- 390.22147 184.1
[M]+ 369.24625 176.7
[M]- 369.24735 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

literature stripe

Patent stripe

patents stripe