CID 53795717

Ethyl 2-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}acetate

Structural Information

Molecular Formula

C₁₂H₂₁NO₂

SMILES

CCOC(=O)CC1CC2CCC(C1)N2C

InChI

InChI=1S/C12H21NO2/c1-3-15-12(14)8-9-6-10-4-5-11(7-9)13(10)2/h9-11H,3-8H2,1-2H3

InChIKey

FEXIQRWMZBXNCT-UHFFFAOYSA-N

Compound name

ethyl 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 211.15723 Da
Monoisotopic Mass: 1.8
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]+	212.164506	151.2
[M+Na]+	234.146448	156.8
[M-H]-	210.149954	151.9
[M+NH4]+	229.191053	172.3
[M+K]+	250.120388	155.0
[M+H-H2O]+	194.154490	145.4
[M+HCOO]-	256.155431	167.6
[M+CH3COO]-	270.171081	188.7
[M+Na-2H]-	232.131896	152.8
[M]+	211.15668142	150.6
[M]-	211.15777858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe