CID 4253327

3-acetamido-2,3-dihydrothiophene 1,1-dioxide

Structural Information

Molecular Formula
C6H9NO3S
SMILES
CC(=O)NC1CS(=O)(=O)C=C1
InChI
InChI=1S/C6H9NO3S/c1-5(8)7-6-2-3-11(9,10)4-6/h2-3,6H,4H2,1H3,(H,7,8)
InChIKey
DSBAHVAPNSAYLG-UHFFFAOYSA-N
Compound name
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.03032 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.037596 132.3
[M+Na]+ 198.019538 141.3
[M-H]- 174.023044 136.6
[M+NH4]+ 193.064143 156.5
[M+K]+ 213.993478 139.8
[M+H-H2O]+ 158.027580 128.2
[M+HCOO]- 220.028521 152.8
[M+CH3COO]- 234.044171 175.8
[M+Na-2H]- 196.004986 135.7
[M]+ 175.02977142 134.2
[M]- 175.03086858 134.2
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