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)pyridin-2-yl]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]+ 275.14781 163.5
[M+Na]+ 297.12975 169.7
[M-H]- 273.13325 160.9
[M+NH4]+ 292.17435 174.9
[M+K]+ 313.10369 164.7
[M+H-H2O]+ 257.13779 151.4
[M+HCOO]- 319.13873 175.7
[M+CH3COO]- 333.15438 199.6
[M+Na-2H]- 295.11520 166.4
[M]+ 274.13998 154.2
[M]- 274.14108 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.