CID 139026710

2361645-21-6

Structural Information

Molecular Formula
C12H19FN2O4S
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(CS(=O)(=O)F)C#N
InChI
InChI=1S/C12H19FN2O4S/c1-11(2,3)19-10(16)15-6-4-5-12(7-14,8-15)9-20(13,17)18/h4-6,8-9H2,1-3H3
InChIKey
ZMRDDUCHMMNXED-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyano-3-(fluorosulfonylmethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10495 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11223 170.8
[M+Na]+ 329.09417 178.5
[M-H]- 305.09767 171.5
[M+NH4]+ 324.13877 185.1
[M+K]+ 345.06811 176.9
[M+H-H2O]+ 289.10221 158.6
[M+HCOO]- 351.10315 177.5
[M+CH3COO]- 365.11880 208.2
[M+Na-2H]- 327.07962 172.9
[M]+ 306.10440 166.5
[M]- 306.10550 166.5
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.