CID 2736953

54954-73-3

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

COC(=O)C1CN2CCC1CC2

InChI

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

InChIKey

RSOWDTALVBLZPE-UHFFFAOYSA-N

Compound name

methyl 1-azabicyclo[2.2.2]octane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 111
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	133.3
[M+Na]+	192.09950	142.9
[M+NH4]+	187.14410	143.6
[M+K]+	208.07344	136.9
[M-H]-	168.10300	130.7
[M+Na-2H]-	190.08495	131.2
[M]+	169.10973	133.7
[M]-	169.11083	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe