CID 96592

73825-80-6

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CCOC1=C(C=C(C=C1)C2N3CCCN2CC3)OC
InChI
InChI=1S/C15H22N2O2/c1-3-19-13-6-5-12(11-14(13)18-2)15-16-7-4-8-17(15)10-9-16/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKey
QPDYWPHYSFTVSQ-UHFFFAOYSA-N
Compound name
8-(4-ethoxy-3-methoxyphenyl)-1,5-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 162.4
[M+Na]+ 285.15734 174.1
[M+NH4]+ 280.20194 171.0
[M+K]+ 301.13128 168.7
[M-H]- 261.16084 164.5
[M+Na-2H]- 283.14279 166.1
[M]+ 262.16757 164.5
[M]- 262.16867 164.5
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.