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]+ 232.06381 150.0
[M+Na]+ 254.04575 157.6
[M-H]- 230.04925 152.2
[M+NH4]+ 249.09035 169.0
[M+K]+ 270.01969 156.0
[M+H-H2O]+ 214.05379 144.2
[M+HCOO]- 276.05473 166.3
[M+CH3COO]- 290.07038 186.6
[M+Na-2H]- 252.03120 148.4
[M]+ 231.05598 154.3
[M]- 231.05708 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.