CID 165716412

1-benzyl-6-(trifluoromethyl)piperidin-3-ol

Structural Information

Molecular Formula
C13H16F3NO
SMILES
C1CC(N(CC1O)CC2=CC=CC=C2)C(F)(F)F
InChI
InChI=1S/C13H16F3NO/c14-13(15,16)12-7-6-11(18)9-17(12)8-10-4-2-1-3-5-10/h1-5,11-12,18H,6-9H2
InChIKey
NVFBWNQLPAXQTC-UHFFFAOYSA-N
Compound name
1-benzyl-6-(trifluoromethyl)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1184 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12568 157.5
[M+Na]+ 282.10762 163.5
[M-H]- 258.11112 156.8
[M+NH4]+ 277.15222 172.1
[M+K]+ 298.08156 159.0
[M+H-H2O]+ 242.11566 147.5
[M+HCOO]- 304.11660 170.4
[M+CH3COO]- 318.13225 192.3
[M+Na-2H]- 280.09307 159.9
[M]+ 259.11785 148.7
[M]- 259.11895 148.7
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.