CID 45479598

N-(sulfonatooxy)prop-2-enimidothioate

Structural Information

Molecular Formula
C4H7NO4S2
SMILES
C=CCC(=S)NOS(=O)(=O)O
InChI
InChI=1S/C4H7NO4S2/c1-2-3-4(10)5-9-11(6,7)8/h2H,1,3H2,(H,5,10)(H,6,7,8)
InChIKey
KUCLLOHRTWVXPV-UHFFFAOYSA-N
Compound name
(but-3-enethioylamino) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

196.98164 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.98892 138.1
[M+Na]+ 219.97086 144.9
[M-H]- 195.97436 136.6
[M+NH4]+ 215.01546 156.3
[M+K]+ 235.94480 141.0
[M+H-H2O]+ 179.97890 132.8
[M+HCOO]- 241.97984 149.3
[M+CH3COO]- 255.99549 177.2
[M+Na-2H]- 217.95631 140.0
[M]+ 196.98109 139.9
[M]- 196.98219 139.9
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.