CID 70700692

N-methyl-1-(6-(trifluoromethyl)pyridin-2-yl)methanamine

Structural Information

Molecular Formula
C8H9F3N2
SMILES
CNCC1=NC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C8H9F3N2/c1-12-5-6-3-2-4-7(13-6)8(9,10)11/h2-4,12H,5H2,1H3
InChIKey
IGLWJWFLOBKURR-UHFFFAOYSA-N
Compound name
N-methyl-1-[6-(trifluoromethyl)pyridin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

190.07178 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07906 140.5
[M+Na]+ 213.06100 149.6
[M+NH4]+ 208.10560 146.3
[M+K]+ 229.03494 144.2
[M-H]- 189.06450 137.9
[M+Na-2H]- 211.04645 145.5
[M]+ 190.07123 140.7
[M]- 190.07233 140.7
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