CID 4120162

3-ethenesulfonyl-propionamide

Structural Information

Molecular Formula
C5H9NO3S
SMILES
C=CS(=O)(=O)CCC(=O)N
InChI
InChI=1S/C5H9NO3S/c1-2-10(8,9)4-3-5(6)7/h2H,1,3-4H2,(H2,6,7)
InChIKey
OWTPPRDFXOZANX-UHFFFAOYSA-N
Compound name
3-ethenylsulfonylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

163.03032 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.037596 131.3
[M+Na]+ 186.019538 139.0
[M-H]- 162.023044 131.4
[M+NH4]+ 181.064143 151.7
[M+K]+ 201.993478 137.0
[M+H-H2O]+ 146.027580 126.5
[M+HCOO]- 208.028521 149.1
[M+CH3COO]- 222.044171 175.6
[M+Na-2H]- 184.004986 134.2
[M]+ 163.02977142 132.7
[M]- 163.03086858 132.7
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