CID 50987534

1,1,1-trifluoro-2-(piperidin-4-yl)propan-2-ol

Structural Information

Molecular Formula
C8H14F3NO
SMILES
CC(C1CCNCC1)(C(F)(F)F)O
InChI
InChI=1S/C8H14F3NO/c1-7(13,8(9,10)11)6-2-4-12-5-3-6/h6,12-13H,2-5H2,1H3
InChIKey
CLMDMJJVIPEREU-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

197.10275 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.110026 142.2
[M+Na]+ 220.091968 147.1
[M-H]- 196.095474 136.9
[M+NH4]+ 215.136573 158.5
[M+K]+ 236.065908 144.3
[M+H-H2O]+ 180.100010 134.6
[M+HCOO]- 242.100951 152.2
[M+CH3COO]- 256.116601 177.2
[M+Na-2H]- 218.077416 146.6
[M]+ 197.10220142 130.9
[M]- 197.10329858 130.9
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