CID 57345047

1378929-71-5

Structural Information

Molecular Formula
C9H10F3NO3
SMILES
COC(=O)N1CCCC(=C1)C(=O)C(F)(F)F
InChI
InChI=1S/C9H10F3NO3/c1-16-8(15)13-4-2-3-6(5-13)7(14)9(10,11)12/h5H,2-4H2,1H3
InChIKey
FRIWAWQSGQHMKL-UHFFFAOYSA-N
Compound name
methyl 5-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.06128 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06856 146.4
[M+Na]+ 260.05050 153.4
[M-H]- 236.05400 144.5
[M+NH4]+ 255.09510 162.6
[M+K]+ 276.02444 152.3
[M+H-H2O]+ 220.05854 137.7
[M+HCOO]- 282.05948 161.1
[M+CH3COO]- 296.07513 188.4
[M+Na-2H]- 258.03595 148.7
[M]+ 237.06073 141.7
[M]- 237.06183 141.7
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