CID 70700692

Methyl({[6-(trifluoromethyl)pyridin-2-yl]methyl})amine

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 136.1
[M+Na]+ 213.06100 144.7
[M-H]- 189.06450 134.8
[M+NH4]+ 208.10560 154.4
[M+K]+ 229.03494 141.9
[M+H-H2O]+ 173.06904 127.3
[M+HCOO]- 235.06998 156.0
[M+CH3COO]- 249.08563 184.8
[M+Na-2H]- 211.04645 143.3
[M]+ 190.07123 131.7
[M]- 190.07233 131.7
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