CID 13101803

Sodium 2-methoxy-2-oxoethane-1-sulfinate

Structural Information

Molecular Formula
C3H6O4S
SMILES
COC(=O)CS(=O)O
InChI
InChI=1S/C3H6O4S/c1-7-3(4)2-8(5)6/h2H2,1H3,(H,5,6)
InChIKey
RSJMDRYLAYPKGX-UHFFFAOYSA-N
Compound name
2-methoxy-2-oxoethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

137.99867 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.00595 123.2
[M+Na]+ 160.98789 131.0
[M-H]- 136.99139 122.7
[M+NH4]+ 156.03249 144.5
[M+K]+ 176.96183 130.9
[M+H-H2O]+ 120.99593 118.8
[M+HCOO]- 182.99687 140.2
[M+CH3COO]- 197.01252 166.6
[M+Na-2H]- 158.97334 125.5
[M]+ 137.99812 126.5
[M]- 137.99922 126.5
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