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: 11
Patents: 231.05653 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	232.06381	150.6
[M+Na]+	254.04575	158.6
[M-H]-	230.04925	153.2
[M+NH4]+	249.09035	169.9
[M+K]+	270.01969	157.6
[M+H-H2O]+	214.05379	145.6
[M+HCOO]-	276.05473	165.4
[M+CH3COO]-	290.07038	186.2
[M+Na-2H]-	252.03120	150.2
[M]+	231.05598	154.4
[M]-	231.05708	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe