CID 21149792

Sodium 2-acetamidoethyl thiosulphate

Structural Information

Molecular Formula
C4H9NO4S2
SMILES
CC(=O)NCCOS(=O)(=S)O
InChI
InChI=1S/C4H9NO4S2/c1-4(6)5-2-3-9-11(7,8)10/h2-3H2,1H3,(H,5,6)(H,7,8,10)
InChIKey
NGRPMXKHVHTKEY-UHFFFAOYSA-N
Compound name
N-(2-hydroxysulfonothioyloxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.9973 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.004576 138.8
[M+Na]+ 221.986518 145.3
[M-H]- 197.990024 137.3
[M+NH4]+ 217.031123 156.9
[M+K]+ 237.960458 142.1
[M+H-H2O]+ 181.994560 133.4
[M+HCOO]- 243.995501 149.8
[M+CH3COO]- 258.011151 178.1
[M+Na-2H]- 219.971966 140.7
[M]+ 198.99675142 141.3
[M]- 198.99784858 141.3
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.