CID 165677235

2048228-14-2

Structural Information

Molecular Formula
C9H13F3N2O3
SMILES
COC(=O)[C@@H]1CCNC[C@@H]1NC(=O)C(F)(F)F
InChI
InChI=1S/C9H13F3N2O3/c1-17-7(15)5-2-3-13-4-6(5)14-8(16)9(10,11)12/h5-6,13H,2-4H2,1H3,(H,14,16)/t5-,6+/m1/s1
InChIKey
XWUGGVPYLSHRPQ-RITPCOANSA-N
Compound name
methyl (3R,4R)-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.08783 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09511 152.6
[M+Na]+ 277.07705 157.3
[M-H]- 253.08055 148.7
[M+NH4]+ 272.12165 166.9
[M+K]+ 293.05099 155.5
[M+H-H2O]+ 237.08509 143.8
[M+HCOO]- 299.08603 165.4
[M+CH3COO]- 313.10168 191.3
[M+Na-2H]- 275.06250 153.7
[M]+ 254.08728 143.8
[M]- 254.08838 143.8
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.