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

479
Patents

136.01941 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.02669 124.1
[M+Na]+ 159.00863 132.7
[M-H]- 135.01213 123.6
[M+NH4]+ 154.05323 145.7
[M+K]+ 174.98257 130.7
[M+H-H2O]+ 119.01667 120.2
[M+HCOO]- 181.01761 141.2
[M+CH3COO]- 195.03326 165.9
[M+Na-2H]- 156.99408 128.7
[M]+ 136.01886 126.4
[M]- 136.01996 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