CID 211638

23509-57-1

Structural Information

Molecular Formula
C10H17NO3S2
SMILES
CCN1C(=S)SC(C1(C)O)CCOC(=O)C
InChI
InChI=1S/C10H17NO3S2/c1-4-11-9(15)16-8(10(11,3)13)5-6-14-7(2)12/h8,13H,4-6H2,1-3H3
InChIKey
TXUPLYBMAQHKQU-UHFFFAOYSA-N
Compound name
2-(3-ethyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.06497 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07225 154.7
[M+Na]+ 286.05419 162.5
[M-H]- 262.05769 155.3
[M+NH4]+ 281.09879 174.2
[M+K]+ 302.02813 158.9
[M+H-H2O]+ 246.06223 150.7
[M+HCOO]- 308.06317 162.9
[M+CH3COO]- 322.07882 191.2
[M+Na-2H]- 284.03964 151.8
[M]+ 263.06442 158.5
[M]- 263.06552 158.5
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.