CID 86218856

50773-27-8

Structural Information

Molecular Formula
C9H13NO4S
SMILES
CC(C)(C)OC(=O)CN1C(=O)CSC1=O
InChI
InChI=1S/C9H13NO4S/c1-9(2,3)14-7(12)4-10-6(11)5-15-8(10)13/h4-5H2,1-3H3
InChIKey
BKUAQGWOPUHCQD-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

231.05653 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.063806 150.6
[M+Na]+ 254.045748 158.6
[M-H]- 230.049254 153.2
[M+NH4]+ 249.090353 169.9
[M+K]+ 270.019688 157.6
[M+H-H2O]+ 214.053790 145.6
[M+HCOO]- 276.054731 165.4
[M+CH3COO]- 290.070381 186.2
[M+Na-2H]- 252.031196 150.2
[M]+ 231.05598142 154.4
[M]- 231.05707858 154.4
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