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

55
Patents

151.03032 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03760 128.0
[M+Na]+ 174.01954 135.8
[M-H]- 150.02304 128.3
[M+NH4]+ 169.06414 148.9
[M+K]+ 189.99348 134.7
[M+H-H2O]+ 134.02758 123.3
[M+HCOO]- 196.02852 145.9
[M+CH3COO]- 210.04417 173.5
[M+Na-2H]- 172.00499 131.3
[M]+ 151.02977 129.7
[M]- 151.03087 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