CID 31881

2,2'-iminodiethanol diethanesulfonate hydrochloride

Structural Information

Molecular Formula
C8H19NO6S2
SMILES
CCS(=O)(=O)OCCNCCOS(=O)(=O)CC
InChI
InChI=1S/C8H19NO6S2/c1-3-16(10,11)14-7-5-9-6-8-15-17(12,13)4-2/h9H,3-8H2,1-2H3
InChIKey
MMZJYHXBQHSKEM-UHFFFAOYSA-N
Compound name
2-(2-ethylsulfonyloxyethylamino)ethyl ethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.06537 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07265 166.4
[M+Na]+ 312.05459 171.0
[M+NH4]+ 307.09919 170.1
[M+K]+ 328.02853 165.4
[M-H]- 288.05809 161.9
[M+Na-2H]- 310.04004 165.2
[M]+ 289.06482 166.2
[M]- 289.06592 166.2
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.