CID 39871635

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

Structural Information

Molecular Formula
C7H7F3N2O
SMILES
CN1C(=CC=C(C1=O)N)C(F)(F)F
InChI
InChI=1S/C7H7F3N2O/c1-12-5(7(8,9)10)3-2-4(11)6(12)13/h2-3H,11H2,1H3
InChIKey
QTYLMXXFEQJOJQ-UHFFFAOYSA-N
Compound name
3-amino-1-methyl-6-(trifluoromethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

192.05104 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05832 134.1
[M+Na]+ 215.04026 145.2
[M-H]- 191.04376 133.2
[M+NH4]+ 210.08486 152.5
[M+K]+ 231.01420 142.2
[M+H-H2O]+ 175.04830 125.9
[M+HCOO]- 237.04924 154.0
[M+CH3COO]- 251.06489 184.7
[M+Na-2H]- 213.02571 139.3
[M]+ 192.05049 129.7
[M]- 192.05159 129.7
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