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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	263.175396	162.4
[M+Na]+	285.157338	168.7
[M-H]-	261.160844	165.1
[M+NH4]+	280.201943	179.9
[M+K]+	301.131278	165.5
[M+H-H2O]+	245.165380	154.0
[M+HCOO]-	307.166321	178.8
[M+CH3COO]-	321.181971	197.9
[M+Na-2H]-	283.142786	164.9
[M]+	262.16757142	162.6
[M]-	262.16866858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe