CID 84008554

1553950-73-4

Structural Information

Molecular Formula

C₇H₇F₃N₂O

SMILES

CN1C=C(C=C(C1=O)N)C(F)(F)F

InChI

InChI=1S/C7H7F3N2O/c1-12-3-4(7(8,9)10)2-5(11)6(12)13/h2-3H,11H2,1H3

InChIKey

VPIDLHRYZJRJQK-UHFFFAOYSA-N

Compound name

3-amino-1-methyl-5-(trifluoromethyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 192.05104 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.05832	140.2
[M+Na]+	215.04026	149.4
[M+NH4]+	210.08486	145.2
[M+K]+	231.01420	145.2
[M-H]-	191.04376	136.8
[M+Na-2H]-	213.02571	143.9
[M]+	192.05049	140.2
[M]-	192.05159	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe