CID 136576052

2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid

Structural Information

Molecular Formula
C8H10F3NO3
SMILES
C1CC(=O)N(CC1C(F)(F)F)CC(=O)O
InChI
InChI=1S/C8H10F3NO3/c9-8(10,11)5-1-2-6(13)12(3-5)4-7(14)15/h5H,1-4H2,(H,14,15)
InChIKey
ZCAWGXVPOLRYFG-UHFFFAOYSA-N
Compound name
2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06128 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06856 143.8
[M+Na]+ 248.05050 150.9
[M-H]- 224.05400 140.5
[M+NH4]+ 243.09510 159.9
[M+K]+ 264.02444 148.8
[M+H-H2O]+ 208.05854 135.8
[M+HCOO]- 270.05948 156.8
[M+CH3COO]- 284.07513 184.9
[M+Na-2H]- 246.03595 145.6
[M]+ 225.06073 136.6
[M]- 225.06183 136.6
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.