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)pyridin-3-yl]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]+ 275.10021 157.7
[M+Na]+ 297.08215 165.1
[M-H]- 273.08565 156.4
[M+NH4]+ 292.12675 172.4
[M+K]+ 313.05609 162.8
[M+H-H2O]+ 257.09019 148.9
[M+HCOO]- 319.09113 173.6
[M+CH3COO]- 333.10678 200.0
[M+Na-2H]- 295.06760 161.6
[M]+ 274.09238 154.2
[M]- 274.09348 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.