CID 197909

(ethylenedinitrilo)tetramethanesulfonic acid tetrasodium salt

Structural Information

Molecular Formula
C6H16N2O12S4
SMILES
C(CN(CS(=O)(=O)O)CS(=O)(=O)O)N(CS(=O)(=O)O)CS(=O)(=O)O
InChI
InChI=1S/C6H16N2O12S4/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20/h1-6H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)(H,18,19,20)
InChIKey
GEKBDHSDXBJHRL-UHFFFAOYSA-N
Compound name
[2-[bis(sulfomethyl)amino]ethyl-(sulfomethyl)amino]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

435.95862 Da
Monoisotopic Mass

-8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.96590 192.5
[M+Na]+ 458.94784 190.5
[M-H]- 434.95134 171.9
[M+NH4]+ 453.99244 174.6
[M+K]+ 474.92178 183.8
[M+H-H2O]+ 418.95588 184.2
[M+HCOO]- 480.95682 180.9
[M+CH3COO]- 494.97247 214.4
[M+Na-2H]- 456.93329 202.1
[M]+ 435.95807 192.9
[M]- 435.95917 192.9
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