CID 20236112

Sodium but-3-ene-1-sulfonate

Structural Information

Molecular Formula
C4H8O3S
SMILES
C=CCCS(=O)(=O)O
InChI
InChI=1S/C4H8O3S/c1-2-3-4-8(5,6)7/h2H,1,3-4H2,(H,5,6,7)
InChIKey
MXYJJDFPHIIPMC-UHFFFAOYSA-N
Compound name
but-3-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

454
Patents

136.01941 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.026686 124.1
[M+Na]+ 159.008628 132.7
[M-H]- 135.012134 123.6
[M+NH4]+ 154.053233 145.7
[M+K]+ 174.982568 130.7
[M+H-H2O]+ 119.016670 120.2
[M+HCOO]- 181.017611 141.2
[M+CH3COO]- 195.033261 165.9
[M+Na-2H]- 156.994076 128.7
[M]+ 136.01886142 126.4
[M]- 136.01995858 126.4
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

patents stripe