CID 125511554

2-(5-methyl-2-oxo-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethane-1-sulfonamide

Structural Information

Molecular Formula
C5H9N3O4S
SMILES
CC1=NN(C(=O)O1)CCS(=O)(=O)N
InChI
InChI=1S/C5H9N3O4S/c1-4-7-8(5(9)12-4)2-3-13(6,10)11/h2-3H2,1H3,(H2,6,10,11)
InChIKey
SPAWSNFTOACTBX-UHFFFAOYSA-N
Compound name
2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.03137 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03865 139.7
[M+Na]+ 230.02059 150.8
[M-H]- 206.02409 142.2
[M+NH4]+ 225.06519 156.9
[M+K]+ 245.99453 149.7
[M+H-H2O]+ 190.02863 133.8
[M+HCOO]- 252.02957 157.9
[M+CH3COO]- 266.04522 181.4
[M+Na-2H]- 228.00604 143.8
[M]+ 207.03082 144.5
[M]- 207.03192 144.5
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.