CID 19029221

2-(ethanesulfonyl)acetamide

Structural Information

Molecular Formula
C4H9NO3S
SMILES
CCS(=O)(=O)CC(=O)N
InChI
InChI=1S/C4H9NO3S/c1-2-9(7,8)3-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKey
PVTYEZXVIDJKOU-UHFFFAOYSA-N
Compound name
2-ethylsulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

151.03032 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.037596 128.0
[M+Na]+ 174.019538 135.8
[M-H]- 150.023044 128.3
[M+NH4]+ 169.064143 148.9
[M+K]+ 189.993478 134.7
[M+H-H2O]+ 134.027580 123.3
[M+HCOO]- 196.028521 145.9
[M+CH3COO]- 210.044171 173.5
[M+Na-2H]- 172.004986 131.3
[M]+ 151.02977142 129.7
[M]- 151.03086858 129.7
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

patents stripe