CID 157049258

Chebi:183091

Structural Information

Molecular Formula
C4H9NO5S2
SMILES
C(CC(=S)NOS(=O)(=O)O)CO
InChI
InChI=1S/C4H9NO5S2/c6-3-1-2-4(11)5-10-12(7,8)9/h6H,1-3H2,(H,5,11)(H,7,8,9)
InChIKey
FFVOKCIERAZYGJ-UHFFFAOYSA-N
Compound name
(4-hydroxybutanethioylamino) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.99222 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.99950 141.7
[M+Na]+ 237.98144 147.3
[M-H]- 213.98494 138.5
[M+NH4]+ 233.02604 158.2
[M+K]+ 253.95538 143.7
[M+H-H2O]+ 197.98948 136.2
[M+HCOO]- 259.99042 151.4
[M+CH3COO]- 274.00607 177.9
[M+Na-2H]- 235.96689 143.5
[M]+ 214.99167 143.6
[M]- 214.99277 143.6
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.