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]+ 176.03760 132.3
[M+Na]+ 198.01954 141.3
[M-H]- 174.02304 136.6
[M+NH4]+ 193.06414 156.5
[M+K]+ 213.99348 139.8
[M+H-H2O]+ 158.02758 128.2
[M+HCOO]- 220.02852 152.8
[M+CH3COO]- 234.04417 175.8
[M+Na-2H]- 196.00499 135.7
[M]+ 175.02977 134.2
[M]- 175.03087 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