CID 49759209

184042-83-9

Structural Information

Molecular Formula

C₁₂H₂₀F₃NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(C(F)(F)F)O

InChI

InChI=1S/C12H20F3NO3/c1-11(2,3)19-10(18)16-6-4-8(5-7-16)9(17)12(13,14)15/h8-9,17H,4-7H2,1-3H3

InChIKey

HARLHGMSRKJSSA-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 283.13953 Da
Monoisotopic Mass: 2.4
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]+	284.146806	163.0
[M+Na]+	306.128748	167.6
[M-H]-	282.132254	159.1
[M+NH4]+	301.173353	176.9
[M+K]+	322.102688	166.3
[M+H-H2O]+	266.136790	154.9
[M+HCOO]-	328.137731	172.0
[M+CH3COO]-	342.153381	196.0
[M+Na-2H]-	304.114196	163.4
[M]+	283.13898142	156.2
[M]-	283.14007858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe