CID 43617885

3-(2-methoxy-2-oxoethanesulfonyl)propanoic acid

Structural Information

Molecular Formula
C6H10O6S
SMILES
COC(=O)CS(=O)(=O)CCC(=O)O
InChI
InChI=1S/C6H10O6S/c1-12-6(9)4-13(10,11)3-2-5(7)8/h2-4H2,1H3,(H,7,8)
InChIKey
PAQDCOIWLGCJFY-UHFFFAOYSA-N
Compound name
3-(2-methoxy-2-oxoethyl)sulfonylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0198 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02708 144.0
[M+Na]+ 233.00902 150.5
[M+NH4]+ 228.05362 148.2
[M+K]+ 248.98296 147.5
[M-H]- 209.01252 138.9
[M+Na-2H]- 230.99447 143.5
[M]+ 210.01925 143.4
[M]- 210.02035 143.4
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.