CID 139026712

2361645-53-4

Structural Information

Molecular Formula
C11H17FN2O4S
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(CS(=O)(=O)F)C#N
InChI
InChI=1S/C11H17FN2O4S/c1-10(2,3)18-9(15)14-5-4-11(6-13,7-14)8-19(12,16)17/h4-5,7-8H2,1-3H3
InChIKey
CNCHBOKTQLVXAM-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyano-3-(fluorosulfonylmethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0893 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09658 168.7
[M+Na]+ 315.07852 177.9
[M-H]- 291.08202 170.0
[M+NH4]+ 310.12312 185.4
[M+K]+ 331.05246 176.4
[M+H-H2O]+ 275.08656 157.0
[M+HCOO]- 337.08750 177.7
[M+CH3COO]- 351.10315 205.1
[M+Na-2H]- 313.06397 170.1
[M]+ 292.08875 166.1
[M]- 292.08985 166.1
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

No patent data available for this compound.