CID 5108277

2-(acetylthio)acetamide

Structural Information

Molecular Formula
C4H7NO2S
SMILES
CC(=O)SCC(=O)N
InChI
InChI=1S/C4H7NO2S/c1-3(6)8-2-4(5)7/h2H2,1H3,(H2,5,7)
InChIKey
KQJWTIOZZLQART-UHFFFAOYSA-N
Compound name
S-(2-amino-2-oxoethyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

133.01974 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.02702 125.4
[M+Na]+ 156.00896 132.5
[M-H]- 132.01246 125.6
[M+NH4]+ 151.05356 147.1
[M+K]+ 171.98290 131.8
[M+H-H2O]+ 116.01700 120.4
[M+HCOO]- 178.01794 143.4
[M+CH3COO]- 192.03359 172.2
[M+Na-2H]- 153.99441 126.8
[M]+ 133.01919 126.2
[M]- 133.02029 126.2
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