CID 43685

2,2'-iminodiethanol dibutanesulfonate hydrochloride

Structural Information

Molecular Formula
C12H27NO6S2
SMILES
CCCCS(=O)(=O)OCCNCCOS(=O)(=O)CCCC
InChI
InChI=1S/C12H27NO6S2/c1-3-5-11-20(14,15)18-9-7-13-8-10-19-21(16,17)12-6-4-2/h13H,3-12H2,1-2H3
InChIKey
VQWLIPPRLGNULL-UHFFFAOYSA-N
Compound name
2-(2-butylsulfonyloxyethylamino)ethyl butane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.128 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13528 178.8
[M+Na]+ 368.11722 182.5
[M-H]- 344.12072 177.2
[M+NH4]+ 363.16182 191.7
[M+K]+ 384.09116 178.7
[M+H-H2O]+ 328.12526 171.8
[M+HCOO]- 390.12620 189.3
[M+CH3COO]- 404.14185 207.7
[M+Na-2H]- 366.10267 180.7
[M]+ 345.12745 188.3
[M]- 345.12855 188.3
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.