CID 62302752

6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06128 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.068556 143.8
[M+Na]+ 248.050498 150.9
[M-H]- 224.054004 140.5
[M+NH4]+ 243.095103 159.9
[M+K]+ 264.024438 148.8
[M+H-H2O]+ 208.058540 135.8
[M+HCOO]- 270.059481 156.8
[M+CH3COO]- 284.075131 184.9
[M+Na-2H]- 246.035946 145.6
[M]+ 225.06073142 136.6
[M]- 225.06182858 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.