CID 50990581

2,2,2-trifluoro-1-(piperidin-4-yl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1CNCCC1C(C(F)(F)F)O
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)6(12)5-1-3-11-4-2-5/h5-6,11-12H,1-4H2
InChIKey
AWHZGSFJGAXLAR-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-piperidin-4-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

183.0871 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.094376 137.8
[M+Na]+ 206.076318 142.4
[M-H]- 182.079824 132.3
[M+NH4]+ 201.120923 154.4
[M+K]+ 222.050258 139.8
[M+H-H2O]+ 166.084360 129.7
[M+HCOO]- 228.085301 148.7
[M+CH3COO]- 242.100951 174.6
[M+Na-2H]- 204.061766 140.6
[M]+ 183.08655142 125.9
[M]- 183.08764858 125.9
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