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]+ 269.147136 160.4
[M+Na]+ 291.129078 164.8
[M-H]- 267.132584 156.5
[M+NH4]+ 286.173683 174.6
[M+K]+ 307.103018 162.6
[M+H-H2O]+ 251.137120 152.0
[M+HCOO]- 313.138061 171.5
[M+CH3COO]- 327.153711 195.0
[M+Na-2H]- 289.114526 162.5
[M]+ 268.13931142 151.5
[M]- 268.14040858 151.5
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