CID 50986324

1251922-53-8

Structural Information

Molecular Formula
C9H13NO4S
SMILES
CC(=O)OCCCCN1C(=O)CSC1=O
InChI
InChI=1S/C9H13NO4S/c1-7(11)14-5-3-2-4-10-8(12)6-15-9(10)13/h2-6H2,1H3
InChIKey
QJYQNXLXCKTRBT-UHFFFAOYSA-N
Compound name
4-(2,4-dioxo-1,3-thiazolidin-3-yl)butyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05653 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.063806 150.0
[M+Na]+ 254.045748 157.6
[M-H]- 230.049254 152.2
[M+NH4]+ 249.090353 169.0
[M+K]+ 270.019688 156.0
[M+H-H2O]+ 214.053790 144.2
[M+HCOO]- 276.054731 166.3
[M+CH3COO]- 290.070381 186.6
[M+Na-2H]- 252.031196 148.4
[M]+ 231.05598142 154.3
[M]- 231.05707858 154.3
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

No patent data available for this compound.