CID 90202743

2243514-11-4

Structural Information

Molecular Formula
C7H13NO4S
SMILES
CCOC(=O)CC1(CS(=O)(=O)C1)N
InChI
InChI=1S/C7H13NO4S/c1-2-12-6(9)3-7(8)4-13(10,11)5-7/h2-5,8H2,1H3
InChIKey
BBEMWVFCEZMBSR-UHFFFAOYSA-N
Compound name
ethyl 2-(3-amino-1,1-dioxothietan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

207.05653 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063806 140.3
[M+Na]+ 230.045748 145.5
[M-H]- 206.049254 143.1
[M+NH4]+ 225.090353 155.7
[M+K]+ 246.019688 147.6
[M+H-H2O]+ 190.053790 131.2
[M+HCOO]- 252.054731 156.6
[M+CH3COO]- 266.070381 185.7
[M+Na-2H]- 228.031196 143.4
[M]+ 207.05598142 151.5
[M]- 207.05707858 151.5
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

patents stripe