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

23
Patents

197.10275 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11003 142.2
[M+Na]+ 220.09197 147.1
[M-H]- 196.09547 136.9
[M+NH4]+ 215.13657 158.5
[M+K]+ 236.06591 144.3
[M+H-H2O]+ 180.10001 134.6
[M+HCOO]- 242.10095 152.2
[M+CH3COO]- 256.11660 177.2
[M+Na-2H]- 218.07742 146.6
[M]+ 197.10220 130.9
[M]- 197.10330 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