CID 42889598

2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethan-1-amine

Structural Information

Molecular Formula
C12H17F3N4
SMILES
C1CN(CCN1CCN)C2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H17F3N4/c13-12(14,15)10-1-2-11(17-9-10)19-7-5-18(4-3-16)6-8-19/h1-2,9H,3-8,16H2
InChIKey
RGRQJSPXZNQDSL-UHFFFAOYSA-N
Compound name
2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14053 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.147806 163.5
[M+Na]+ 297.129748 169.7
[M-H]- 273.133254 160.9
[M+NH4]+ 292.174353 174.9
[M+K]+ 313.103688 164.7
[M+H-H2O]+ 257.137790 151.4
[M+HCOO]- 319.138731 175.7
[M+CH3COO]- 333.154381 199.6
[M+Na-2H]- 295.115196 166.4
[M]+ 274.13998142 154.2
[M]- 274.14107858 154.2
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.