CID 4962677

1-benzyl-n-(2,2,2-trifluoroethyl)piperidin-4-amine

Structural Information

Molecular Formula
C14H19F3N2
SMILES
C1CN(CCC1NCC(F)(F)F)CC2=CC=CC=C2
InChI
InChI=1S/C14H19F3N2/c15-14(16,17)11-18-13-6-8-19(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2
InChIKey
WWZHELMAWQPKCQ-UHFFFAOYSA-N
Compound name
1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

272.15002 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15730 161.7
[M+Na]+ 295.13924 166.0
[M-H]- 271.14274 161.7
[M+NH4]+ 290.18384 175.8
[M+K]+ 311.11318 161.4
[M+H-H2O]+ 255.14728 150.7
[M+HCOO]- 317.14822 176.6
[M+CH3COO]- 331.16387 199.6
[M+Na-2H]- 293.12469 165.2
[M]+ 272.14947 152.6
[M]- 272.15057 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe