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]+ 260.125676 157.5
[M+Na]+ 282.107618 163.5
[M-H]- 258.111124 156.8
[M+NH4]+ 277.152223 172.1
[M+K]+ 298.081558 159.0
[M+H-H2O]+ 242.115660 147.5
[M+HCOO]- 304.116601 170.4
[M+CH3COO]- 318.132251 192.3
[M+Na-2H]- 280.093066 159.9
[M]+ 259.11785142 148.7
[M]- 259.11894858 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.