CID 56973575

1420797-21-2

Structural Information

Molecular Formula
C12H20F3NO5S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)COS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C12H20F3NO5S/c1-11(2,3)21-10(17)16-6-4-9(5-7-16)8-20-22(18,19)12(13,14)15/h9H,4-8H2,1-3H3
InChIKey
AIZXYRBBMIZCOR-UHFFFAOYSA-N
Compound name
tert-butyl 4-(trifluoromethylsulfonyloxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

347.10144 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10872 173.3
[M+Na]+ 370.09066 178.5
[M-H]- 346.09416 170.7
[M+NH4]+ 365.13526 185.5
[M+K]+ 386.06460 177.1
[M+H-H2O]+ 330.09870 165.0
[M+HCOO]- 392.09964 179.0
[M+CH3COO]- 406.11529 204.4
[M+Na-2H]- 368.07611 174.7
[M]+ 347.10089 172.2
[M]- 347.10199 172.2
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