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]+ 307.112226 170.8
[M+Na]+ 329.094168 178.5
[M-H]- 305.097674 171.5
[M+NH4]+ 324.138773 185.1
[M+K]+ 345.068108 176.9
[M+H-H2O]+ 289.102210 158.6
[M+HCOO]- 351.103151 177.5
[M+CH3COO]- 365.118801 208.2
[M+Na-2H]- 327.079616 172.9
[M]+ 306.10440142 166.5
[M]- 306.10549858 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.