CID 211637

23509-56-0

Structural Information

Molecular Formula
C9H15NO3S2
SMILES
CC(=O)OCCC1C(N(C(=S)S1)C)(C)O
InChI
InChI=1S/C9H15NO3S2/c1-6(11)13-5-4-7-9(2,12)10(3)8(14)15-7/h7,12H,4-5H2,1-3H3
InChIKey
SOCZEGFQIORQAR-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-3,4-dimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.04933 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05661 150.6
[M+Na]+ 272.03855 158.8
[M-H]- 248.04205 151.4
[M+NH4]+ 267.08315 170.6
[M+K]+ 288.01249 155.5
[M+H-H2O]+ 232.04659 146.8
[M+HCOO]- 294.04753 159.1
[M+CH3COO]- 308.06318 188.3
[M+Na-2H]- 270.02400 148.1
[M]+ 249.04878 154.0
[M]- 249.04988 154.0
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.