CID 145909469

2377032-89-6

Structural Information

Molecular Formula
C8H10F3NO3
SMILES
C1CC(CNC1=O)(CC(=O)O)C(F)(F)F
InChI
InChI=1S/C8H10F3NO3/c9-8(10,11)7(3-6(14)15)2-1-5(13)12-4-7/h1-4H2,(H,12,13)(H,14,15)
InChIKey
DPRQTIUMARMXPX-UHFFFAOYSA-N
Compound name
2-[6-oxo-3-(trifluoromethyl)piperidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06128 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06856 144.6
[M+Na]+ 248.05050 151.2
[M-H]- 224.05400 139.8
[M+NH4]+ 243.09510 161.7
[M+K]+ 264.02444 148.6
[M+H-H2O]+ 208.05854 137.5
[M+HCOO]- 270.05948 156.0
[M+CH3COO]- 284.07513 180.8
[M+Na-2H]- 246.03595 147.8
[M]+ 225.06073 135.5
[M]- 225.06183 135.5
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.