CID 53414531

1260780-34-4

Structural Information

Molecular Formula
C11H19F3N2O2
SMILES
CC(C)(C)OC(=O)NC1CCNCC1C(F)(F)F
InChI
InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-8-4-5-15-6-7(8)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)
InChIKey
PIARTJWWYHJFTF-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

268.13986 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14714 160.4
[M+Na]+ 291.12908 164.8
[M-H]- 267.13258 156.5
[M+NH4]+ 286.17368 174.6
[M+K]+ 307.10302 162.6
[M+H-H2O]+ 251.13712 152.0
[M+HCOO]- 313.13806 171.5
[M+CH3COO]- 327.15371 195.0
[M+Na-2H]- 289.11453 162.5
[M]+ 268.13931 151.5
[M]- 268.14041 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