CID 165592705

(3r,5r)-3-(tert-butoxy)-5-fluoropiperidine hydrochloride

Structural Information

Molecular Formula
C9H18FNO
SMILES
CC(C)(C)O[C@@H]1C[C@H](CNC1)F
InChI
InChI=1S/C9H18FNO/c1-9(2,3)12-8-4-7(10)5-11-6-8/h7-8,11H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKey
AHSKJKSPFWUBFO-HTQZYQBOSA-N
Compound name
(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.13724 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14452 140.8
[M+Na]+ 198.12646 146.2
[M-H]- 174.12996 139.6
[M+NH4]+ 193.17106 159.2
[M+K]+ 214.10040 144.5
[M+H-H2O]+ 158.13450 134.4
[M+HCOO]- 220.13544 155.8
[M+CH3COO]- 234.15109 177.9
[M+Na-2H]- 196.11191 144.9
[M]+ 175.13669 135.1
[M]- 175.13779 135.1
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.