CID 43701

61556-97-6

Structural Information

Molecular Formula
C15H33NO6S2
SMILES
CCCS(=O)(=O)OCCCCCCNCCCOS(=O)(=O)CCC
InChI
InChI=1S/C15H33NO6S2/c1-3-14-23(17,18)21-12-8-6-5-7-10-16-11-9-13-22-24(19,20)15-4-2/h16H,3-15H2,1-2H3
InChIKey
JSADPOSGFTYUPK-UHFFFAOYSA-N
Compound name
6-(3-propylsulfonyloxypropylamino)hexyl propane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.17493 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.18221 190.9
[M+Na]+ 410.16415 193.3
[M-H]- 386.16765 188.7
[M+NH4]+ 405.20875 202.2
[M+K]+ 426.13809 188.9
[M+H-H2O]+ 370.17219 183.4
[M+HCOO]- 432.17313 200.5
[M+CH3COO]- 446.18878 216.4
[M+Na-2H]- 408.14960 191.7
[M]+ 387.17438 201.4
[M]- 387.17548 201.4
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.