CID 50986324

4-(2,4-dioxo-1,3-thiazolidin-3-yl)butyl acetate

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]+ 232.06381 153.2
[M+Na]+ 254.04575 161.0
[M+NH4]+ 249.09035 159.1
[M+K]+ 270.01969 156.6
[M-H]- 230.04925 151.6
[M+Na-2H]- 252.03120 153.7
[M]+ 231.05598 153.8
[M]- 231.05708 153.8
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.