CID 477574

Chembl346636

Structural Information

Molecular Formula
C10H16N2O4S
SMILES
CC(C)(C)OC(=O)CNC(=O)[C@@H]1CSC(=O)N1
InChI
InChI=1S/C10H16N2O4S/c1-10(2,3)16-7(13)4-11-8(14)6-5-17-9(15)12-6/h6H,4-5H2,1-3H3,(H,11,14)(H,12,15)/t6-/m0/s1
InChIKey
VVTHCPOQCSJGMQ-LURJTMIESA-N
Compound name
tert-butyl 2-[[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.08307 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09035 160.1
[M+Na]+ 283.07229 165.0
[M-H]- 259.07579 160.6
[M+NH4]+ 278.11689 176.7
[M+K]+ 299.04623 163.3
[M+H-H2O]+ 243.08033 154.4
[M+HCOO]- 305.08127 173.0
[M+CH3COO]- 319.09692 190.7
[M+Na-2H]- 281.05774 158.9
[M]+ 260.08252 160.4
[M]- 260.08362 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.