CID 39871946

3-amino-1-ethyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C8H9F3N2O
SMILES
CCN1C(=CC=C(C1=O)N)C(F)(F)F
InChI
InChI=1S/C8H9F3N2O/c1-2-13-6(8(9,10)11)4-3-5(12)7(13)14/h3-4H,2,12H2,1H3
InChIKey
RITSFVJFPNZMEP-UHFFFAOYSA-N
Compound name
3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

206.0667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07398 138.8
[M+Na]+ 229.05592 149.5
[M-H]- 205.05942 137.7
[M+NH4]+ 224.10052 156.7
[M+K]+ 245.02986 146.3
[M+H-H2O]+ 189.06396 130.4
[M+HCOO]- 251.06490 158.4
[M+CH3COO]- 265.08055 187.7
[M+Na-2H]- 227.04137 143.5
[M]+ 206.06615 134.8
[M]- 206.06725 134.8
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