CID 14742569

97791-59-8

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

COC(=O)C1CC2CCC1NC2

InChI

InChI=1S/C9H15NO2/c1-12-9(11)7-4-6-2-3-8(7)10-5-6/h6-8,10H,2-5H2,1H3

InChIKey

ZIUUUKKAMFKVCY-UHFFFAOYSA-N

Compound name

methyl 2-azabicyclo[2.2.2]octane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 169.11028 Da
Monoisotopic Mass: 0.6
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]+	170.11756	136.7
[M+Na]+	192.09950	140.4
[M-H]-	168.10300	130.6
[M+NH4]+	187.14410	159.5
[M+K]+	208.07344	138.7
[M+H-H2O]+	152.10754	132.2
[M+HCOO]-	214.10848	145.7
[M+CH3COO]-	228.12413	146.6
[M+Na-2H]-	190.08495	146.6
[M]+	169.10973	136.2
[M]-	169.11083	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe