CID 429725

53415-63-7

Structural Information

Molecular Formula
C10H23NO6S2
SMILES
CCS(=O)(=O)OCCCNCCCOS(=O)(=O)CC
InChI
InChI=1S/C10H23NO6S2/c1-3-18(12,13)16-9-5-7-11-8-6-10-17-19(14,15)4-2/h11H,3-10H2,1-2H3
InChIKey
MCDBHWZQJMOESC-UHFFFAOYSA-N
Compound name
3-(3-ethylsulfonyloxypropylamino)propyl ethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.09668 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10396 170.7
[M+Na]+ 340.08590 175.2
[M-H]- 316.08940 169.4
[M+NH4]+ 335.13050 184.7
[M+K]+ 356.05984 171.8
[M+H-H2O]+ 300.09394 164.0
[M+HCOO]- 362.09488 181.7
[M+CH3COO]- 376.11053 201.9
[M+Na-2H]- 338.07135 173.3
[M]+ 317.09613 179.4
[M]- 317.09723 179.4
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.