CID 14067934

Sodium 3-methoxy-2-methyl-3-oxopropane-1-sulfinate

Structural Information

Molecular Formula
C5H10O4S
SMILES
CC(CS(=O)O)C(=O)OC
InChI
InChI=1S/C5H10O4S/c1-4(3-10(7)8)5(6)9-2/h4H,3H2,1-2H3,(H,7,8)
InChIKey
HAUBGZYQFQASDR-UHFFFAOYSA-N
Compound name
3-methoxy-2-methyl-3-oxopropane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.02998 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03726 134.1
[M+Na]+ 189.01920 141.7
[M+NH4]+ 184.06380 140.3
[M+K]+ 204.99314 137.7
[M-H]- 165.02270 131.2
[M+Na-2H]- 187.00465 134.7
[M]+ 166.02943 134.4
[M]- 166.03053 134.4
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

No patent data available for this compound.