CID 60165860

1523541-88-9

Structural Information

Molecular Formula

C₁₁H₂₀FNO₃

SMILES

CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)F)CO

InChI

InChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-5-4-8(7-14)9(12)6-13/h8-9,14H,4-7H2,1-3H3/t8-,9+/m1/s1

InChIKey

UIACYDBUYRFVMD-BDAKNGLRSA-N

Compound name

tert-butyl (3R,4R)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 233.14272 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.15000	155.2
[M+Na]+	256.13194	163.0
[M+NH4]+	251.17654	160.6
[M+K]+	272.10588	159.5
[M-H]-	232.13544	152.5
[M+Na-2H]-	254.11739	156.4
[M]+	233.14217	155.1
[M]-	233.14327	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe