CID 133909

N-hydroxysulfosuccinimide sodium salt

Structural Information

Molecular Formula
C4H5NO6S
SMILES
C1C(C(=O)N(C1=O)O)S(=O)(=O)O
InChI
InChI=1S/C4H5NO6S/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2,8H,1H2,(H,9,10,11)
InChIKey
GVJXGCIPWAVXJP-UHFFFAOYSA-N
Compound name
1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

49
References

28956
Patents

194.98376 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.99104 134.3
[M+Na]+ 217.97298 144.1
[M-H]- 193.97648 134.8
[M+NH4]+ 213.01758 153.3
[M+K]+ 233.94692 142.3
[M+H-H2O]+ 177.98102 130.3
[M+HCOO]- 239.98196 149.0
[M+CH3COO]- 253.99761 171.7
[M+Na-2H]- 215.95843 136.1
[M]+ 194.98321 135.7
[M]- 194.98431 135.7
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