CID 127857

152305-87-8

Structural Information

Molecular Formula
C6H7NO7S
SMILES
CC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O
InChI
InChI=1S/C6H7NO7S/c1-3(8)14-7-5(9)2-4(6(7)10)15(11,12)13/h4H,2H2,1H3,(H,11,12,13)
InChIKey
MDUQWFYJHRLNRN-UHFFFAOYSA-N
Compound name
1-acetyloxy-2,5-dioxopyrrolidine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

695
Patents

236.99432 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.001596 143.3
[M+Na]+ 259.983538 152.5
[M-H]- 235.987044 145.0
[M+NH4]+ 255.028143 161.2
[M+K]+ 275.957478 151.7
[M+H-H2O]+ 219.991580 139.0
[M+HCOO]- 281.992521 158.4
[M+CH3COO]- 296.008171 181.8
[M+Na-2H]- 257.968986 144.1
[M]+ 236.99377142 147.4
[M]- 236.99486858 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe