CID 105389

2-(methylsulfonyl)acetamide

Structural Information

Molecular Formula
C3H7NO3S
SMILES
CS(=O)(=O)CC(=O)N
InChI
InChI=1S/C3H7NO3S/c1-8(6,7)2-3(4)5/h2H2,1H3,(H2,4,5)
InChIKey
ZBLUAVADFAWYLL-UHFFFAOYSA-N
Compound name
2-methylsulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

527
Patents

137.01466 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.02194 123.5
[M+Na]+ 160.00388 131.7
[M-H]- 136.00738 123.9
[M+NH4]+ 155.04848 145.0
[M+K]+ 175.97782 130.8
[M+H-H2O]+ 120.01192 119.0
[M+HCOO]- 182.01286 141.7
[M+CH3COO]- 196.02851 170.5
[M+Na-2H]- 157.98933 127.3
[M]+ 137.01411 124.8
[M]- 137.01521 124.8
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

No patent data available for this compound.