CID 56932106

1209780-71-1

Structural Information

Molecular Formula

C₁₀H₁₇F₂NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)(F)F)O

InChI

InChI=1S/C10H17F2NO3/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13/h7,14H,4-6H2,1-3H3

InChIKey

GISYXRBCSOIMTM-UHFFFAOYSA-N

Compound name

tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 288
Patents: 237.11765 Da
Monoisotopic Mass: 1.3
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]+	238.12493	150.9
[M+Na]+	260.10687	157.9
[M-H]-	236.11037	149.1
[M+NH4]+	255.15147	169.0
[M+K]+	276.08081	156.9
[M+H-H2O]+	220.11491	144.6
[M+HCOO]-	282.11585	164.2
[M+CH3COO]-	296.13150	187.3
[M+Na-2H]-	258.09232	153.7
[M]+	237.11710	146.6
[M]-	237.11820	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe