CID 214178

Ethanesulfonic acid, 2-((2-mercapto-1-(mercaptomethyl)ethyl)thio)-, sodium salt

Structural Information

Molecular Formula
C5H12O3S4
SMILES
C(CS(=O)(=O)O)SC(CS)CS
InChI
InChI=1S/C5H12O3S4/c6-12(7,8)2-1-11-5(3-9)4-10/h5,9-10H,1-4H2,(H,6,7,8)
InChIKey
DZEAPRJPGZSFRO-UHFFFAOYSA-N
Compound name
2-[1,3-bis(sulfanyl)propan-2-ylsulfanyl]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.96693 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97421 153.0
[M+Na]+ 270.95615 158.3
[M-H]- 246.95965 149.2
[M+NH4]+ 266.00075 168.0
[M+K]+ 286.93009 150.2
[M+H-H2O]+ 230.96419 146.8
[M+HCOO]- 292.96513 150.0
[M+CH3COO]- 306.98078 188.4
[M+Na-2H]- 268.94160 152.0
[M]+ 247.96638 152.5
[M]- 247.96748 152.5
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.