CID 139022487

2344679-18-9

Structural Information

Molecular Formula
C13H23F3N2O2
SMILES
CC(C)(C)OC(=O)NC(CC1CCCCN1)C(F)(F)F
InChI
InChI=1S/C13H23F3N2O2/c1-12(2,3)20-11(19)18-10(13(14,15)16)8-9-6-4-5-7-17-9/h9-10,17H,4-8H2,1-3H3,(H,18,19)
InChIKey
LWUGKUUNTUKGML-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.17117 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17845 168.9
[M+Na]+ 319.16039 171.3
[M-H]- 295.16389 164.3
[M+NH4]+ 314.20499 181.6
[M+K]+ 335.13433 169.2
[M+H-H2O]+ 279.16843 160.0
[M+HCOO]- 341.16937 178.4
[M+CH3COO]- 355.18502 200.7
[M+Na-2H]- 317.14584 169.6
[M]+ 296.17062 159.8
[M]- 296.17172 159.8
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.