CID 3056550

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

Structural Information

Molecular Formula
C13H25NO3
SMILES
CCOCCOCCCN1CC2CCCC1O2
InChI
InChI=1S/C13H25NO3/c1-2-15-9-10-16-8-4-7-14-11-12-5-3-6-13(14)17-12/h12-13H,2-11H2,1H3
InChIKey
VXKVVXXJHGUYAQ-UHFFFAOYSA-N
Compound name
6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.18344 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.190716 158.6
[M+Na]+ 266.172658 162.6
[M-H]- 242.176164 159.1
[M+NH4]+ 261.217263 176.7
[M+K]+ 282.146598 162.3
[M+H-H2O]+ 226.180700 151.9
[M+HCOO]- 288.181641 174.8
[M+CH3COO]- 302.197291 193.2
[M+Na-2H]- 264.158106 162.4
[M]+ 243.18289142 161.4
[M]- 243.18398858 161.4
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.