CID 3056549

6-(3-(2-(2-ethoxyethoxy)ethoxy)propyl)-8-oxa-6-azabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C15H29NO4
SMILES
CCOCCOCCOCCCN1CC2CCCC1O2
InChI
InChI=1S/C15H29NO4/c1-2-17-9-10-19-12-11-18-8-4-7-16-13-14-5-3-6-15(16)20-14/h14-15H,2-13H2,1H3
InChIKey
QXOWSLODXYPBII-UHFFFAOYSA-N
Compound name
6-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-8-oxa-6-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.20966 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.216936 170.1
[M+Na]+ 310.198878 173.1
[M-H]- 286.202384 170.1
[M+NH4]+ 305.243483 186.3
[M+K]+ 326.172818 172.7
[M+H-H2O]+ 270.206920 162.9
[M+HCOO]- 332.207861 185.7
[M+CH3COO]- 346.223511 201.2
[M+Na-2H]- 308.184326 173.0
[M]+ 287.20911142 175.1
[M]- 287.21020858 175.1
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.