CID 459364

S-[2-(2-hydroxyanilino)-2-oxo-ethyl] ethanethioate

Structural Information

Molecular Formula
C10H11NO3S
SMILES
CC(=O)SCC(=O)NC1=CC=CC=C1O
InChI
InChI=1S/C10H11NO3S/c1-7(12)15-6-10(14)11-8-4-2-3-5-9(8)13/h2-5,13H,6H2,1H3,(H,11,14)
InChIKey
XXCDZGXPGVKHGM-UHFFFAOYSA-N
Compound name
S-[2-(2-hydroxyanilino)-2-oxoethyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.04596 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.053236 147.9
[M+Na]+ 248.035178 154.4
[M-H]- 224.038684 150.3
[M+NH4]+ 243.079783 165.5
[M+K]+ 264.009118 151.4
[M+H-H2O]+ 208.043220 141.7
[M+HCOO]- 270.044161 165.2
[M+CH3COO]- 284.059811 186.3
[M+Na-2H]- 246.020626 149.4
[M]+ 225.04541142 149.5
[M]- 225.04650858 149.5
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.