CID 43187074

[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C8H15F3N2
SMILES
C1CC(CN(C1)CC(F)(F)F)CN
InChI
InChI=1S/C8H15F3N2/c9-8(10,11)6-13-3-1-2-7(4-12)5-13/h7H,1-6,12H2
InChIKey
SYOPGCUQZUNUSC-UHFFFAOYSA-N
Compound name
[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.11873 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12601 142.3
[M+Na]+ 219.10795 147.7
[M-H]- 195.11145 139.2
[M+NH4]+ 214.15255 159.7
[M+K]+ 235.08189 145.3
[M+H-H2O]+ 179.11599 133.4
[M+HCOO]- 241.11693 157.1
[M+CH3COO]- 255.13258 185.3
[M+Na-2H]- 217.09340 145.3
[M]+ 196.11818 132.4
[M]- 196.11928 132.4
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.