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 132.3
[M+Na]+ 189.01920 138.9
[M-H]- 165.02270 131.5
[M+NH4]+ 184.06380 152.4
[M+K]+ 204.99314 138.9
[M+H-H2O]+ 149.02724 127.5
[M+HCOO]- 211.02818 147.6
[M+CH3COO]- 225.04383 173.5
[M+Na-2H]- 187.00465 132.5
[M]+ 166.02943 135.7
[M]- 166.03053 135.7
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.