CID 121656

1-piperidinemethanol, alpha,alpha-bis(trifluoromethyl)-, hydrate

Structural Information

Molecular Formula
C8H11F6NO
SMILES
C1CCN(CC1)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C8H11F6NO/c9-7(10,11)6(16,8(12,13)14)15-4-2-1-3-5-15/h16H,1-5H2
InChIKey
ATTPMOPPCKQSRZ-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.07448 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08176 150.0
[M+Na]+ 274.06370 156.0
[M-H]- 250.06720 142.4
[M+NH4]+ 269.10830 164.6
[M+K]+ 290.03764 153.3
[M+H-H2O]+ 234.07174 139.8
[M+HCOO]- 296.07268 156.7
[M+CH3COO]- 310.08833 188.6
[M+Na-2H]- 272.04915 153.9
[M]+ 251.07393 135.9
[M]- 251.07503 135.9
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

No patent data available for this compound.