CID 83688897

6-oxo-2-(trifluoromethyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C7H8F3NO3
SMILES
C1CC(=O)NC(C1C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H8F3NO3/c8-7(9,10)5-3(6(13)14)1-2-4(12)11-5/h3,5H,1-2H2,(H,11,12)(H,13,14)
InChIKey
FGQBXFXHUWERLX-UHFFFAOYSA-N
Compound name
6-oxo-2-(trifluoromethyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04562 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05290 140.0
[M+Na]+ 234.03484 147.0
[M-H]- 210.03834 135.4
[M+NH4]+ 229.07944 155.9
[M+K]+ 250.00878 144.3
[M+H-H2O]+ 194.04288 132.3
[M+HCOO]- 256.04382 151.7
[M+CH3COO]- 270.05947 179.4
[M+Na-2H]- 232.02029 141.7
[M]+ 211.04507 130.5
[M]- 211.04617 130.5
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.