CID 138039796

2241128-53-8

Structural Information

Molecular Formula
C8H8F3NO3
SMILES
C1CNC=C(C1C(=O)O)C(=O)C(F)(F)F
InChI
InChI=1S/C8H8F3NO3/c9-8(10,11)6(13)5-3-12-2-1-4(5)7(14)15/h3-4,12H,1-2H2,(H,14,15)
InChIKey
KRRSKJKYVRLOTQ-UHFFFAOYSA-N
Compound name
5-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04562 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05290 142.6
[M+Na]+ 246.03484 149.0
[M-H]- 222.03834 137.9
[M+NH4]+ 241.07944 157.7
[M+K]+ 262.00878 146.3
[M+H-H2O]+ 206.04288 134.5
[M+HCOO]- 268.04382 154.5
[M+CH3COO]- 282.05947 181.7
[M+Na-2H]- 244.02029 144.3
[M]+ 223.04507 133.9
[M]- 223.04617 133.9
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.