CID 16227744

2-(2-oxo-6-sulfamoyl-2,3-dihydro-1,3-benzoxazol-3-yl)acetic acid

Structural Information

Molecular Formula
C9H8N2O6S
SMILES
C1=CC2=C(C=C1S(=O)(=O)N)OC(=O)N2CC(=O)O
InChI
InChI=1S/C9H8N2O6S/c10-18(15,16)5-1-2-6-7(3-5)17-9(14)11(6)4-8(12)13/h1-3H,4H2,(H,12,13)(H2,10,15,16)
InChIKey
BMGRDOBVZXLURN-UHFFFAOYSA-N
Compound name
2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0103 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.01758 153.1
[M+Na]+ 294.99952 164.5
[M-H]- 271.00302 156.8
[M+NH4]+ 290.04412 169.0
[M+K]+ 310.97346 162.5
[M+H-H2O]+ 255.00756 147.9
[M+HCOO]- 317.00850 170.5
[M+CH3COO]- 331.02415 191.6
[M+Na-2H]- 292.98497 158.2
[M]+ 272.00975 159.6
[M]- 272.01085 159.6
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.