CID 96632103

Rac-(2r,3r)-2-(trifluoromethyl)piperidin-3-ol hydrochloride

Structural Information

Molecular Formula
C6H10F3NO
SMILES
C1C[C@H]([C@@H](NC1)C(F)(F)F)O
InChI
InChI=1S/C6H10F3NO/c7-6(8,9)5-4(11)2-1-3-10-5/h4-5,10-11H,1-3H2/t4-,5-/m1/s1
InChIKey
HRXOCFAASSUVGL-RFZPGFLSSA-N
Compound name
(2R,3R)-2-(trifluoromethyl)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.07144 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07872 133.2
[M+Na]+ 192.06066 139.4
[M-H]- 168.06416 128.2
[M+NH4]+ 187.10526 150.8
[M+K]+ 208.03460 136.7
[M+H-H2O]+ 152.06870 125.5
[M+HCOO]- 214.06964 145.4
[M+CH3COO]- 228.08529 171.8
[M+Na-2H]- 190.04611 137.0
[M]+ 169.07089 122.0
[M]- 169.07199 122.0
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

No patent data available for this compound.