CID 129992902

2305253-80-7

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

COC1CCC2C(CCC1N2)OC

InChI

InChI=1S/C10H19NO2/c1-12-9-5-3-8-10(13-2)6-4-7(9)11-8/h7-11H,3-6H2,1-2H3

InChIKey

UFJWVIBSYBIUSD-UHFFFAOYSA-N

Compound name

2,6-dimethoxy-9-azabicyclo[3.3.1]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.14159 Da
Monoisotopic Mass: 0.7
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]+	186.14887	142.2
[M+Na]+	208.13081	147.1
[M-H]-	184.13431	141.4
[M+NH4]+	203.17541	161.7
[M+K]+	224.10475	145.2
[M+H-H2O]+	168.13885	136.2
[M+HCOO]-	230.13979	156.4
[M+CH3COO]-	244.15544	181.2
[M+Na-2H]-	206.11626	147.2
[M]+	185.14104	138.3
[M]-	185.14214	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.