CID 60171613

2792185-93-2

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

COC(=O)C12CCC(C1)CNC2

InChI

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

InChIKey

ZFRUYGRNMVLNGV-UHFFFAOYSA-N

Compound name

methyl 3-azabicyclo[3.2.1]octane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 169.11028 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]+	170.117556	138.9
[M+Na]+	192.099498	144.5
[M-H]-	168.103004	138.3
[M+NH4]+	187.144103	162.3
[M+K]+	208.073438	142.7
[M+H-H2O]+	152.107540	133.8
[M+HCOO]-	214.108481	154.8
[M+CH3COO]-	228.124131	174.3
[M+Na-2H]-	190.084946	144.0
[M]+	169.10973142	134.9
[M]-	169.11082858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe