CID 61640579

1285359-02-5

Structural Information

Molecular Formula
C12H21F3N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)NCC(F)(F)F
InChI
InChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17-6-4-5-9(7-17)16-8-12(13,14)15/h9,16H,4-8H2,1-3H3
InChIKey
GQPGFEHBGHHVNH-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.15552 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16280 164.6
[M+Na]+ 305.14474 169.0
[M-H]- 281.14824 162.0
[M+NH4]+ 300.18934 179.0
[M+K]+ 321.11868 167.5
[M+H-H2O]+ 265.15278 155.7
[M+HCOO]- 327.15372 176.9
[M+CH3COO]- 341.16937 200.5
[M+Na-2H]- 303.13019 166.7
[M]+ 282.15497 158.1
[M]- 282.15607 158.1
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

patents stripe