CID 146049196

1667744-92-4

Structural Information

Molecular Formula
C11H14F3NO3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C(=C1)C(F)(F)F
InChI
InChI=1S/C11H14F3NO3/c1-10(2,3)18-9(17)15-5-4-8(16)7(6-15)11(12,13)14/h6H,4-5H2,1-3H3
InChIKey
PUMGVNOPDNGARZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxo-5-(trifluoromethyl)-2,3-dihydropyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0926 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09988 154.9
[M+Na]+ 288.08182 162.8
[M-H]- 264.08532 153.4
[M+NH4]+ 283.12642 170.6
[M+K]+ 304.05576 161.3
[M+H-H2O]+ 248.08986 146.9
[M+HCOO]- 310.09080 168.4
[M+CH3COO]- 324.10645 194.6
[M+Na-2H]- 286.06727 157.8
[M]+ 265.09205 151.4
[M]- 265.09315 151.4
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.