CID 15473621

263719-76-2

Structural Information

Molecular Formula
C7H14N2O4S
SMILES
CC(C)(C)OC(=O)N1CCNS1(=O)=O
InChI
InChI=1S/C7H14N2O4S/c1-7(2,3)13-6(10)9-5-4-8-14(9,11)12/h8H,4-5H2,1-3H3
InChIKey
APFAUGSFPCAVKB-UHFFFAOYSA-N
Compound name
tert-butyl 1,1-dioxo-1,2,5-thiadiazolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

222.06743 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.074706 146.7
[M+Na]+ 245.056648 155.0
[M-H]- 221.060154 146.6
[M+NH4]+ 240.101253 166.1
[M+K]+ 261.030588 153.9
[M+H-H2O]+ 205.064690 142.3
[M+HCOO]- 267.065631 159.3
[M+CH3COO]- 281.081281 178.3
[M+Na-2H]- 243.042096 148.8
[M]+ 222.06688142 148.3
[M]- 222.06797858 148.3
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