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

9
Patents

163.03032 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03760 131.3
[M+Na]+ 186.01954 139.0
[M-H]- 162.02304 131.4
[M+NH4]+ 181.06414 151.7
[M+K]+ 201.99348 137.0
[M+H-H2O]+ 146.02758 126.5
[M+HCOO]- 208.02852 149.1
[M+CH3COO]- 222.04417 175.6
[M+Na-2H]- 184.00499 134.2
[M]+ 163.02977 132.7
[M]- 163.03087 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