CID 121553561

Methyl 6-(aminomethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₂

SMILES

COC(=O)N1CC2CCC1C(C2)CN

InChI

InChI=1S/C10H18N2O2/c1-14-10(13)12-6-7-2-3-9(12)8(4-7)5-11/h7-9H,2-6,11H2,1H3

InChIKey

SKVZKLAZOURAGG-UHFFFAOYSA-N

Compound name

methyl 6-(aminomethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.13683 Da
Monoisotopic Mass: 0.4
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]+	199.144106	145.0
[M+Na]+	221.126048	148.8
[M-H]-	197.129554	139.8
[M+NH4]+	216.170653	167.1
[M+K]+	237.099988	147.5
[M+H-H2O]+	181.134090	140.1
[M+HCOO]-	243.135031	155.4
[M+CH3COO]-	257.150681	191.5
[M+Na-2H]-	219.111496	153.6
[M]+	198.13628142	145.3
[M]-	198.13737858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.