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]+ 226.068556 144.6
[M+Na]+ 248.050498 151.2
[M-H]- 224.054004 139.8
[M+NH4]+ 243.095103 161.7
[M+K]+ 264.024438 148.6
[M+H-H2O]+ 208.058540 137.5
[M+HCOO]- 270.059481 156.0
[M+CH3COO]- 284.075131 180.8
[M+Na-2H]- 246.035946 147.8
[M]+ 225.06073142 135.5
[M]- 225.06182858 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.