CID 121604719

2306265-63-2

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

COC(=O)C12CCC(CC1)NC2

InChI

InChI=1S/C9H15NO2/c1-12-8(11)9-4-2-7(3-5-9)10-6-9/h7,10H,2-6H2,1H3

InChIKey

RLHPMJOFGNYZEX-UHFFFAOYSA-N

Compound name

methyl 2-azabicyclo[2.2.2]octane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 169.11028 Da
Monoisotopic Mass: 0.5
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	138.3
[M+Na]+	192.09950	142.2
[M-H]-	168.10300	132.2
[M+NH4]+	187.14410	162.8
[M+K]+	208.07344	140.4
[M+H-H2O]+	152.10754	133.5
[M+HCOO]-	214.10848	147.2
[M+CH3COO]-	228.12413	148.2
[M+Na-2H]-	190.08495	149.6
[M]+	169.10973	137.7
[M]-	169.11083	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe