CID 3056548

6-(3-(bis(2-hydroxyethyl)amino)propyl)-8-oxa-6-azabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C13H26N2O3
SMILES
C1CC2CN(C(C1)O2)CCCN(CCO)CCO
InChI
InChI=1S/C13H26N2O3/c16-9-7-14(8-10-17)5-2-6-15-11-12-3-1-4-13(15)18-12/h12-13,16-17H,1-11H2
InChIKey
FSBYQTNTIYRTQK-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.19434 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.201616 162.4
[M+Na]+ 281.183558 164.7
[M-H]- 257.187064 161.4
[M+NH4]+ 276.228163 178.7
[M+K]+ 297.157498 163.9
[M+H-H2O]+ 241.191600 155.6
[M+HCOO]- 303.192541 177.0
[M+CH3COO]- 317.208191 196.6
[M+Na-2H]- 279.169006 165.2
[M]+ 258.19379142 162.0
[M]- 258.19488858 162.0
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.