CID 230041

2-(ethenesulfonyl)ethan-1-ol

Structural Information

Molecular Formula
C4H8O3S
SMILES
C=CS(=O)(=O)CCO
InChI
InChI=1S/C4H8O3S/c1-2-8(6,7)4-3-5/h2,5H,1,3-4H2
InChIKey
MDNRSTYOUUKRGH-UHFFFAOYSA-N
Compound name
2-ethenylsulfonylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

136.01941 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.026686 124.1
[M+Na]+ 159.008628 132.7
[M-H]- 135.012134 123.6
[M+NH4]+ 154.053233 145.7
[M+K]+ 174.982568 130.7
[M+H-H2O]+ 119.016670 120.2
[M+HCOO]- 181.017611 141.2
[M+CH3COO]- 195.033261 165.9
[M+Na-2H]- 156.994076 128.7
[M]+ 136.01886142 126.4
[M]- 136.01995858 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe