CID 12299772

2287287-96-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

COC(=O)C1CC2CCC1CC2N

InChI

InChI=1S/C10H17NO2/c1-13-10(12)8-4-7-3-2-6(8)5-9(7)11/h6-9H,2-5,11H2,1H3

InChIKey

HMSNDRWYYNZIOH-UHFFFAOYSA-N

Compound name

methyl 5-aminobicyclo[2.2.2]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.12593 Da
Monoisotopic Mass: 0.9
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	135.2
[M+Na]+	206.11515	143.6
[M+NH4]+	201.15975	145.5
[M+K]+	222.08909	138.0
[M-H]-	182.11865	133.5
[M+Na-2H]-	204.10060	132.5
[M]+	183.12538	135.6
[M]-	183.12648	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe