CID 3056370

73758-31-3

Structural Information

Molecular Formula
C17H25F3N2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)N2CCCCC2CCN
InChI
InChI=1S/C17H25F3N2/c1-13(22-10-3-2-7-16(22)8-9-21)11-14-5-4-6-15(12-14)17(18,19)20/h4-6,12-13,16H,2-3,7-11,21H2,1H3
InChIKey
JOQHLKIYNKCXRE-UHFFFAOYSA-N
Compound name
2-[1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.197 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20428 176.1
[M+Na]+ 337.18622 179.8
[M-H]- 313.18972 175.5
[M+NH4]+ 332.23082 188.5
[M+K]+ 353.16016 174.8
[M+H-H2O]+ 297.19426 165.0
[M+HCOO]- 359.19520 188.4
[M+CH3COO]- 373.21085 209.9
[M+Na-2H]- 335.17167 175.1
[M]+ 314.19645 166.9
[M]- 314.19755 166.9
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

No patent data available for this compound.