CID 54490195

(ethanesulfonyl)acetaldehyde

Structural Information

Molecular Formula
C4H8O3S
SMILES
CCS(=O)(=O)CC=O
InChI
InChI=1S/C4H8O3S/c1-2-8(6,7)4-3-5/h3H,2,4H2,1H3
InChIKey
YCDZFILPLILCLX-UHFFFAOYSA-N
Compound name
2-ethylsulfonylacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

136.01941 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.026686 123.2
[M+Na]+ 159.008628 132.3
[M-H]- 135.012134 124.3
[M+NH4]+ 154.053233 145.6
[M+K]+ 174.982568 131.4
[M+H-H2O]+ 119.016670 119.2
[M+HCOO]- 181.017611 142.0
[M+CH3COO]- 195.033261 168.6
[M+Na-2H]- 156.994076 128.4
[M]+ 136.01886142 127.6
[M]- 136.01995858 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