CID 13841

2,2'-iminodiethanol dimethanesulfonate hydrochloride

Structural Information

Molecular Formula
C6H15NO6S2
SMILES
CS(=O)(=O)OCCNCCOS(=O)(=O)C
InChI
InChI=1S/C6H15NO6S2/c1-14(8,9)12-5-3-7-4-6-13-15(2,10)11/h7H,3-6H2,1-2H3
InChIKey
XGJRKCHXLMZIIU-UHFFFAOYSA-N
Compound name
2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0341 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04138 154.1
[M+Na]+ 284.02332 160.3
[M-H]- 260.02682 153.6
[M+NH4]+ 279.06792 170.3
[M+K]+ 299.99726 157.8
[M+H-H2O]+ 244.03136 148.1
[M+HCOO]- 306.03230 166.3
[M+CH3COO]- 320.04795 190.2
[M+Na-2H]- 282.00877 158.3
[M]+ 261.03355 161.4
[M]- 261.03465 161.4
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.