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]+ 207.073976 138.8
[M+Na]+ 229.055918 149.5
[M-H]- 205.059424 137.7
[M+NH4]+ 224.100523 156.7
[M+K]+ 245.029858 146.3
[M+H-H2O]+ 189.063960 130.4
[M+HCOO]- 251.064901 158.4
[M+CH3COO]- 265.080551 187.7
[M+Na-2H]- 227.041366 143.5
[M]+ 206.06615142 134.8
[M]- 206.06724858 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