CID 50990623

3-(trifluoromethyl)piperidin-3-ol hydrochloride

Structural Information

Molecular Formula
C6H10F3NO
SMILES
C1CC(CNC1)(C(F)(F)F)O
InChI
InChI=1S/C6H10F3NO/c7-6(8,9)5(11)2-1-3-10-4-5/h10-11H,1-4H2
InChIKey
SCISXSIATSHKKJ-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

169.07144 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.078716 133.4
[M+Na]+ 192.060658 139.7
[M-H]- 168.064164 128.5
[M+NH4]+ 187.105263 152.8
[M+K]+ 208.034598 137.2
[M+H-H2O]+ 152.068700 126.3
[M+HCOO]- 214.069641 145.7
[M+CH3COO]- 228.085291 170.3
[M+Na-2H]- 190.046106 139.1
[M]+ 169.07089142 122.2
[M]- 169.07198858 122.2
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