CID 12691493

2-amino-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

Structural Information

Molecular Formula
C8H8F3N3O
SMILES
CC1=CC(=C(C(=N1)N)C(=O)N)C(F)(F)F
InChI
InChI=1S/C8H8F3N3O/c1-3-2-4(8(9,10)11)5(7(13)15)6(12)14-3/h2H,1H3,(H2,12,14)(H2,13,15)
InChIKey
XUJCWZXLWVSFRW-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06195 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.069226 143.1
[M+Na]+ 242.051168 152.7
[M-H]- 218.054674 141.6
[M+NH4]+ 237.095773 159.6
[M+K]+ 258.025108 149.6
[M+H-H2O]+ 202.059210 134.3
[M+HCOO]- 264.060151 162.1
[M+CH3COO]- 278.075801 193.0
[M+Na-2H]- 240.036616 145.8
[M]+ 219.06140142 136.7
[M]- 219.06249858 136.7
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

No patent data available for this compound.