CID 43697

6-((3-hydroxypropyl)amino)-1-hexanol dimethanesulfonate hydrochloride

Structural Information

Molecular Formula
C11H25NO6S2
SMILES
CS(=O)(=O)OCCCCCCNCCCOS(=O)(=O)C
InChI
InChI=1S/C11H25NO6S2/c1-19(13,14)17-10-6-4-3-5-8-12-9-7-11-18-20(2,15)16/h12H,3-11H2,1-2H3
InChIKey
AWZADQNSQLGMEV-UHFFFAOYSA-N
Compound name
6-(3-methylsulfonyloxypropylamino)hexyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.11234 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11962 174.8
[M+Na]+ 354.10156 178.8
[M-H]- 330.10506 173.3
[M+NH4]+ 349.14616 188.2
[M+K]+ 370.07550 175.2
[M+H-H2O]+ 314.10960 167.9
[M+HCOO]- 376.11054 185.5
[M+CH3COO]- 390.12619 204.8
[M+Na-2H]- 352.08701 177.0
[M]+ 331.11179 183.8
[M]- 331.11289 183.8
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.