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]+ 186.073636 136.6
[M+Na]+ 208.055578 143.3
[M-H]- 184.059084 130.6
[M+NH4]+ 203.100183 154.9
[M+K]+ 224.029518 140.4
[M+H-H2O]+ 168.063620 130.0
[M+HCOO]- 230.064561 147.6
[M+CH3COO]- 244.080211 171.0
[M+Na-2H]- 206.041026 141.3
[M]+ 185.06581142 125.4
[M]- 185.06690858 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