CID 155820890

2490420-75-0

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

COC(=O)CC1CC2C1CCN2

InChI

InChI=1S/C9H15NO2/c1-12-9(11)5-6-4-8-7(6)2-3-10-8/h6-8,10H,2-5H2,1H3

InChIKey

HGXZSOYVTQHRML-UHFFFAOYSA-N

Compound name

methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.11028 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]+	170.117556	136.0
[M+Na]+	192.099498	140.8
[M-H]-	168.103004	137.3
[M+NH4]+	187.144103	150.7
[M+K]+	208.073438	142.2
[M+H-H2O]+	152.107540	125.8
[M+HCOO]-	214.108481	153.2
[M+CH3COO]-	228.124131	179.8
[M+Na-2H]-	190.084946	138.7
[M]+	169.10973142	142.7
[M]-	169.11082858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.