CID 117793047

1643147-55-0

Structural Information

Molecular Formula
C10H20N2O3S
SMILES
CC(C)(C)OC(=O)N1CCC(C1)S(=N)(=O)C
InChI
InChI=1S/C10H20N2O3S/c1-10(2,3)15-9(13)12-6-5-8(7-12)16(4,11)14/h8,11H,5-7H2,1-4H3
InChIKey
JYOPAUPKXFQZPE-UHFFFAOYSA-N
Compound name
tert-butyl 3-(methylsulfonimidoyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

248.11946 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12674 157.8
[M+Na]+ 271.10868 164.1
[M-H]- 247.11218 160.0
[M+NH4]+ 266.15328 176.0
[M+K]+ 287.08262 162.7
[M+H-H2O]+ 231.11672 152.6
[M+HCOO]- 293.11766 171.4
[M+CH3COO]- 307.13331 190.7
[M+Na-2H]- 269.09413 158.9
[M]+ 248.11891 158.7
[M]- 248.12001 158.7
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

patents stripe