CID 104097

52147-67-8

Structural Information

Molecular Formula
C4H8O3S
SMILES
COC(=O)CS(=O)C
InChI
InChI=1S/C4H8O3S/c1-7-4(5)3-8(2)6/h3H2,1-2H3
InChIKey
DWNQOKWDJKLVEW-UHFFFAOYSA-N
Compound name
methyl 2-methylsulfinylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

136.01941 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.02669 126.6
[M+Na]+ 159.00863 135.8
[M+NH4]+ 154.05323 134.1
[M+K]+ 174.98257 130.3
[M-H]- 135.01213 125.0
[M+Na-2H]- 156.99408 128.8
[M]+ 136.01886 127.6
[M]- 136.01996 127.6
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