CID 57845325

Rac-(3r,4s)-4-(trifluoromethyl)piperidine-3,4-diol hydrochloride

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07364 136.6
[M+Na]+ 208.05558 143.3
[M-H]- 184.05908 130.6
[M+NH4]+ 203.10018 154.9
[M+K]+ 224.02952 140.4
[M+H-H2O]+ 168.06362 130.0
[M+HCOO]- 230.06456 147.6
[M+CH3COO]- 244.08021 171.0
[M+Na-2H]- 206.04103 141.3
[M]+ 185.06581 125.4
[M]- 185.06691 125.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe