CID 43687

2,2'-iminodiethanol dipentanesulfonate hydrochloride

Structural Information

Molecular Formula
C14H31NO6S2
SMILES
CCCCCS(=O)(=O)OCCNCCOS(=O)(=O)CCCCC
InChI
InChI=1S/C14H31NO6S2/c1-3-5-7-13-22(16,17)20-11-9-15-10-12-21-23(18,19)14-8-6-4-2/h15H,3-14H2,1-2H3
InChIKey
UQEWFRSQMVYOEL-UHFFFAOYSA-N
Compound name
2-(2-pentylsulfonyloxyethylamino)ethyl pentane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.15927 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16655 186.9
[M+Na]+ 396.14849 189.7
[M-H]- 372.15199 184.9
[M+NH4]+ 391.19309 198.7
[M+K]+ 412.12243 185.5
[M+H-H2O]+ 356.15653 179.5
[M+HCOO]- 418.15747 196.7
[M+CH3COO]- 432.17312 213.5
[M+Na-2H]- 394.13394 188.0
[M]+ 373.15872 197.1
[M]- 373.15982 197.1
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.