CID 103590

52097-76-4

Structural Information

Molecular Formula
C5H7NO2S
SMILES
CC(=O)NC1CSC1=O
InChI
InChI=1S/C5H7NO2S/c1-3(7)6-4-2-9-5(4)8/h4H,2H2,1H3,(H,6,7)
InChIKey
ARFPSLYPGAOCDK-UHFFFAOYSA-N
Compound name
N-(2-oxothietan-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.01974 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.027016 124.5
[M+Na]+ 168.008958 129.5
[M-H]- 144.012464 128.0
[M+NH4]+ 163.053563 139.1
[M+K]+ 183.982898 131.8
[M+H-H2O]+ 128.017000 113.1
[M+HCOO]- 190.017941 141.8
[M+CH3COO]- 204.033591 177.8
[M+Na-2H]- 165.994406 126.5
[M]+ 145.01919142 133.1
[M]- 145.02028858 133.1
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.