CID 90433896

Schembl16068142

Structural Information

Molecular Formula
C8H9F3N2
SMILES
CCC1=C(C=CC(=N1)C(F)(F)F)N
InChI
InChI=1S/C8H9F3N2/c1-2-6-5(12)3-4-7(13-6)8(9,10)11/h3-4H,2,12H2,1H3
InChIKey
GXMHSJMEGOPVCV-UHFFFAOYSA-N
Compound name
2-ethyl-6-(trifluoromethyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

190.07178 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.079056 136.6
[M+Na]+ 213.060998 146.2
[M-H]- 189.064504 135.1
[M+NH4]+ 208.105603 154.9
[M+K]+ 229.034938 143.0
[M+H-H2O]+ 173.069040 128.1
[M+HCOO]- 235.069981 155.8
[M+CH3COO]- 249.085631 185.3
[M+Na-2H]- 211.046446 142.0
[M]+ 190.07123142 131.5
[M]- 190.07232858 131.5
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

patents stripe