CID 53426661

135908-43-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

COC(=O)C12CCC(CC1)(CC2)N

InChI

InChI=1S/C10H17NO2/c1-13-8(12)9-2-5-10(11,6-3-9)7-4-9/h2-7,11H2,1H3

InChIKey

HDIKFAFEMDBXOS-UHFFFAOYSA-N

Compound name

methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 243
Patents: 183.12593 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]+	184.13321	140.9
[M+Na]+	206.11515	148.7
[M+NH4]+	201.15975	153.9
[M+K]+	222.08909	139.1
[M-H]-	182.11865	139.0
[M+Na-2H]-	204.10060	141.2
[M]+	183.12538	141.5
[M]-	183.12648	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe