CID 40152147

(3s,4r)-1-boc-3-fluoro-4-hydroxypiperidine

Structural Information

Molecular Formula
C10H18FNO3
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@H](C1)F)O
InChI
InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKey
XRNLYXKYODGLMI-JGVFFNPUSA-N
Compound name
tert-butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

900
Patents

219.12708 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13436 149.3
[M+Na]+ 242.11630 155.3
[M-H]- 218.11980 148.5
[M+NH4]+ 237.16090 166.2
[M+K]+ 258.09024 154.4
[M+H-H2O]+ 202.12434 142.9
[M+HCOO]- 264.12528 163.7
[M+CH3COO]- 278.14093 185.0
[M+Na-2H]- 240.10175 151.2
[M]+ 219.12653 145.9
[M]- 219.12763 145.9
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