CID 139026711

2361645-23-8

Structural Information

Molecular Formula
C11H17ClN2O4S
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(CS(=O)(=O)Cl)C#N
InChI
InChI=1S/C11H17ClN2O4S/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
YZGWDZTZHHXHIH-UHFFFAOYSA-N
Compound name
tert-butyl 3-(chlorosulfonylmethyl)-3-cyanopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.05975 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06703 174.2
[M+Na]+ 331.04897 184.2
[M-H]- 307.05247 177.1
[M+NH4]+ 326.09357 191.2
[M+K]+ 347.02291 181.1
[M+H-H2O]+ 291.05701 164.1
[M+HCOO]- 353.05795 180.1
[M+CH3COO]- 367.07360 206.0
[M+Na-2H]- 329.03442 175.6
[M]+ 308.05920 174.2
[M]- 308.06030 174.2
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

No patent data available for this compound.