CID 139022455

2344679-08-7

Structural Information

Molecular Formula
C13H21FN2O4S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CCS(=O)(=O)F)C#N
InChI
InChI=1S/C13H21FN2O4S/c1-12(2,3)20-11(17)16-7-4-13(10-15,5-8-16)6-9-21(14,18)19/h4-9H2,1-3H3
InChIKey
MUNADGUAAFKQQM-UHFFFAOYSA-N
Compound name
tert-butyl 4-cyano-4-(2-fluorosulfonylethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1206 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12788 174.4
[M+Na]+ 343.10982 181.8
[M-H]- 319.11332 175.0
[M+NH4]+ 338.15442 188.3
[M+K]+ 359.08376 180.0
[M+H-H2O]+ 303.11786 162.1
[M+HCOO]- 365.11880 180.9
[M+CH3COO]- 379.13445 210.9
[M+Na-2H]- 341.09527 176.2
[M]+ 320.12005 170.5
[M]- 320.12115 170.5
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

No patent data available for this compound.