CID 68562588

Rac-tert-butyl n-[(2r,4s)-2-(trifluoromethyl)piperidin-4-yl]carbamate

Structural Information

Molecular Formula
C11H19F3N2O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCN[C@@H](C1)C(F)(F)F
InChI
InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-7-4-5-15-8(6-7)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8+/m1/s1
InChIKey
IHMWVWBSRVQKQQ-SFYZADRCSA-N
Compound name
tert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.13986 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14714 163.0
[M+Na]+ 291.12908 167.1
[M+NH4]+ 286.17368 166.2
[M+K]+ 307.10302 164.6
[M-H]- 267.13258 157.3
[M+Na-2H]- 289.11453 162.9
[M]+ 268.13931 161.3
[M]- 268.14041 161.3
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

patents stripe