CID 165941880

Tert-butyl 4-(6-fluoropyridin-2-yl)-4-hydroxypiperidine-1-carboxylate

Structural Information

Molecular Formula
C15H21FN2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C2=NC(=CC=C2)F)O
InChI
InChI=1S/C15H21FN2O3/c1-14(2,3)21-13(19)18-9-7-15(20,8-10-18)11-5-4-6-12(16)17-11/h4-6,20H,7-10H2,1-3H3
InChIKey
PWAQZHHYICFNHG-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-fluoropyridin-2-yl)-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15363 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.16091 169.8
[M+Na]+ 319.14285 175.8
[M-H]- 295.14635 170.8
[M+NH4]+ 314.18745 183.7
[M+K]+ 335.11679 173.2
[M+H-H2O]+ 279.15089 161.3
[M+HCOO]- 341.15183 182.6
[M+CH3COO]- 355.16748 198.0
[M+Na-2H]- 317.12830 172.9
[M]+ 296.15308 166.5
[M]- 296.15418 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.