CID 58103579

1071435-62-5

Structural Information

Molecular Formula
C8H9F3N2
SMILES
C[C@@H](C1=CN=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C8H9F3N2/c1-5(12)6-2-3-7(13-4-6)8(9,10)11/h2-5H,12H2,1H3/t5-/m0/s1
InChIKey
HBSGXPCKIDZNIF-YFKPBYRVSA-N
Compound name
(1S)-1-[6-(trifluoromethyl)pyridin-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

190.07178 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07906 136.7
[M+Na]+ 213.06100 145.0
[M-H]- 189.06450 134.9
[M+NH4]+ 208.10560 154.6
[M+K]+ 229.03494 142.4
[M+H-H2O]+ 173.06904 127.9
[M+HCOO]- 235.06998 154.9
[M+CH3COO]- 249.08563 185.0
[M+Na-2H]- 211.04645 141.6
[M]+ 190.07123 130.5
[M]- 190.07233 130.5
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