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]+ 290.07265 162.4
[M+Na]+ 312.05459 167.8
[M-H]- 288.05809 161.5
[M+NH4]+ 307.09919 177.5
[M+K]+ 328.02853 164.9
[M+H-H2O]+ 272.06263 156.1
[M+HCOO]- 334.06357 174.0
[M+CH3COO]- 348.07922 196.1
[M+Na-2H]- 310.04004 165.8
[M]+ 289.06482 170.4
[M]- 289.06592 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.