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

311
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

literature stripe

Patent stripe

patents stripe