CID 57845325

2418595-84-1

Structural Information

Molecular Formula

C₆H₁₀F₃NO₂

SMILES

C1CNC[C@H]([C@@]1(C(F)(F)F)O)O

InChI

InChI=1S/C6H10F3NO2/c7-6(8,9)5(12)1-2-10-3-4(5)11/h4,10-12H,1-3H2/t4-,5+/m1/s1

InChIKey

BMOQTORCXLBQET-UHNVWZDZSA-N

Compound name

(3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 185.06636 Da
Monoisotopic Mass: -0.4
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]+	186.07364	140.7
[M+Na]+	208.05558	146.5
[M+NH4]+	203.10018	146.3
[M+K]+	224.02952	142.0
[M-H]-	184.05908	135.0
[M+Na-2H]-	206.04103	142.9
[M]+	185.06581	139.5
[M]-	185.06691	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe