CID 197909

13046-10-1

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
1
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 191.5
[M+Na]+ 458.94784 188.4
[M+NH4]+ 453.99244 204.1
[M+K]+ 474.92178 187.6
[M-H]- 434.95134 181.7
[M+Na-2H]- 456.93329 186.2
[M]+ 435.95807 188.9
[M]- 435.95917 188.9
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