CID 165137341

Schembl25133782

Structural Information

Molecular Formula
C15H28FN3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CN2CCNCC2)F
InChI
InChI=1S/C15H28FN3O2/c1-14(2,3)21-13(20)19-8-4-15(16,5-9-19)12-18-10-6-17-7-11-18/h17H,4-12H2,1-3H3
InChIKey
DXICBUPBQIEXMZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-fluoro-4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

301.21655 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22383 176.9
[M+Na]+ 324.20577 178.9
[M-H]- 300.20927 174.7
[M+NH4]+ 319.25037 188.6
[M+K]+ 340.17971 176.3
[M+H-H2O]+ 284.21381 167.2
[M+HCOO]- 346.21475 183.7
[M+CH3COO]- 360.23040 198.7
[M+Na-2H]- 322.19122 177.4
[M]+ 301.21600 167.8
[M]- 301.21710 167.8
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

patents stripe