CID 119031749

2,2-dimethyl-n-[4-(trifluoroacetyl)pyridin-3-yl]propanamide

Structural Information

Molecular Formula
C12H13F3N2O2
SMILES
CC(C)(C)C(=O)NC1=C(C=CN=C1)C(=O)C(F)(F)F
InChI
InChI=1S/C12H13F3N2O2/c1-11(2,3)10(19)17-8-6-16-5-4-7(8)9(18)12(13,14)15/h4-6H,1-3H3,(H,17,19)
InChIKey
UMXFGXTWUSEXFT-UHFFFAOYSA-N
Compound name
2,2-dimethyl-N-[4-(2,2,2-trifluoroacetyl)-3-pyridinyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09293 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.100206 157.7
[M+Na]+ 297.082148 165.1
[M-H]- 273.085654 156.4
[M+NH4]+ 292.126753 172.4
[M+K]+ 313.056088 162.8
[M+H-H2O]+ 257.090190 148.9
[M+HCOO]- 319.091131 173.6
[M+CH3COO]- 333.106781 200.0
[M+Na-2H]- 295.067596 161.6
[M]+ 274.09238142 154.2
[M]- 274.09347858 154.2
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.