CID 12169126

Sodiumbut-3-ene-1-sulfinate

Structural Information

Molecular Formula
C4H8O2S
SMILES
C=CCCS(=O)O
InChI
InChI=1S/C4H8O2S/c1-2-3-4-7(5)6/h2H,1,3-4H2,(H,5,6)
InChIKey
HJTOHPJEGNCMLX-UHFFFAOYSA-N
Compound name
but-3-ene-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

120.0245 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.03178 121.1
[M+Na]+ 143.01372 128.9
[M-H]- 119.01722 120.5
[M+NH4]+ 138.05832 143.3
[M+K]+ 158.98766 127.3
[M+H-H2O]+ 103.02176 116.9
[M+HCOO]- 165.02270 138.3
[M+CH3COO]- 179.03835 165.4
[M+Na-2H]- 140.99917 123.9
[M]+ 120.02395 122.6
[M]- 120.02505 122.6
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

patents stripe