CID 31881

23374-33-6

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]+ 290.072646 162.4
[M+Na]+ 312.054588 167.8
[M-H]- 288.058094 161.5
[M+NH4]+ 307.099193 177.5
[M+K]+ 328.028528 164.9
[M+H-H2O]+ 272.062630 156.1
[M+HCOO]- 334.063571 174.0
[M+CH3COO]- 348.079221 196.1
[M+Na-2H]- 310.040036 165.8
[M]+ 289.06482142 170.4
[M]- 289.06591858 170.4
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.