CID 68210137

Sodium tetrahydrofuran-3-sulfinate

Structural Information

Molecular Formula
C4H8O3S
SMILES
C1COCC1S(=O)O
InChI
InChI=1S/C4H8O3S/c5-8(6)4-1-2-7-3-4/h4H,1-3H2,(H,5,6)
InChIKey
CWERJIIKHKCLSE-UHFFFAOYSA-N
Compound name
oxolane-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

136.01941 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.02669 125.3
[M+Na]+ 159.00863 133.8
[M+NH4]+ 154.05323 133.5
[M+K]+ 174.98257 130.3
[M-H]- 135.01213 126.5
[M+Na-2H]- 156.99408 127.5
[M]+ 136.01886 126.9
[M]- 136.01996 126.9
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.