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]+ 288.21694 170.1
[M+Na]+ 310.19888 173.1
[M-H]- 286.20238 170.1
[M+NH4]+ 305.24348 186.3
[M+K]+ 326.17282 172.7
[M+H-H2O]+ 270.20692 162.9
[M+HCOO]- 332.20786 185.7
[M+CH3COO]- 346.22351 201.2
[M+Na-2H]- 308.18433 173.0
[M]+ 287.20911 175.1
[M]- 287.21021 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.