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]+ 139.005946 123.2
[M+Na]+ 160.987888 131.0
[M-H]- 136.991394 122.7
[M+NH4]+ 156.032493 144.5
[M+K]+ 176.961828 130.9
[M+H-H2O]+ 120.995930 118.8
[M+HCOO]- 182.996871 140.2
[M+CH3COO]- 197.012521 166.6
[M+Na-2H]- 158.973336 125.5
[M]+ 137.99812142 126.5
[M]- 137.99921858 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