CID 547873

2-(methylthio)acetamide

Structural Information

Molecular Formula
C3H7NOS
SMILES
CSCC(=O)N
InChI
InChI=1S/C3H7NOS/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)
InChIKey
OBENGAMZEGRSIC-UHFFFAOYSA-N
Compound name
2-methylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

354
Patents

105.02483 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.03211 119.2
[M+Na]+ 128.01405 128.3
[M+NH4]+ 123.05865 127.7
[M+K]+ 143.98799 122.0
[M-H]- 104.01755 119.3
[M+Na-2H]- 125.99950 122.4
[M]+ 105.02428 120.7
[M]- 105.02538 120.7
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