CID 23161764

1-[3-(trifluoromethyl)phenyl]piperidin-3-amine

Structural Information

Molecular Formula
C12H15F3N2
SMILES
C1CC(CN(C1)C2=CC=CC(=C2)C(F)(F)F)N
InChI
InChI=1S/C12H15F3N2/c13-12(14,15)9-3-1-5-11(7-9)17-6-2-4-10(16)8-17/h1,3,5,7,10H,2,4,6,8,16H2
InChIKey
KDKFBVLCXICBJE-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]piperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

244.11873 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12601 153.5
[M+Na]+ 267.10795 159.6
[M-H]- 243.11145 153.8
[M+NH4]+ 262.15255 168.8
[M+K]+ 283.08189 155.2
[M+H-H2O]+ 227.11599 143.3
[M+HCOO]- 289.11693 168.4
[M+CH3COO]- 303.13258 194.0
[M+Na-2H]- 265.09340 156.3
[M]+ 244.11818 143.1
[M]- 244.11928 143.1
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