CID 122163266

Tert-butyl 3-(trifluoroacetamido)piperidine-4-carboxylate

Structural Information

Molecular Formula
C12H19F3N2O3
SMILES
CC(C)(C)OC(=O)C1CCNCC1NC(=O)C(F)(F)F
InChI
InChI=1S/C12H19F3N2O3/c1-11(2,3)20-9(18)7-4-5-16-6-8(7)17-10(19)12(13,14)15/h7-8,16H,4-6H2,1-3H3,(H,17,19)
InChIKey
XRFBJLKCOZRLSF-UHFFFAOYSA-N
Compound name
tert-butyl 3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.13477 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14205 165.4
[M+Na]+ 319.12399 169.3
[M-H]- 295.12749 161.4
[M+NH4]+ 314.16859 178.2
[M+K]+ 335.09793 167.4
[M+H-H2O]+ 279.13203 156.9
[M+HCOO]- 341.13297 175.6
[M+CH3COO]- 355.14862 200.2
[M+Na-2H]- 317.10944 166.2
[M]+ 296.13422 157.1
[M]- 296.13532 157.1
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.