CID 77676

Ethenesulfonic acid, ethyl ester

Structural Information

Molecular Formula
C4H8O3S
SMILES
CCOS(=O)(=O)C=C
InChI
InChI=1S/C4H8O3S/c1-3-7-8(5,6)4-2/h4H,2-3H2,1H3
InChIKey
MWFJXRUUPWIALU-UHFFFAOYSA-N
Compound name
ethyl ethenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1169
Patents

136.01941 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.02669 123.2
[M+Na]+ 159.00863 132.3
[M-H]- 135.01213 124.3
[M+NH4]+ 154.05323 145.6
[M+K]+ 174.98257 131.4
[M+H-H2O]+ 119.01667 119.2
[M+HCOO]- 181.01761 142.0
[M+CH3COO]- 195.03326 168.6
[M+Na-2H]- 156.99408 128.4
[M]+ 136.01886 127.6
[M]- 136.01996 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe