CID 22975760

1803608-00-5

Structural Information

Molecular Formula

C₁₄H₂₅NO₂

SMILES

CCOC(=O)CC1CCC2(CC1)CCNCC2

InChI

InChI=1S/C14H25NO2/c1-2-17-13(16)11-12-3-5-14(6-4-12)7-9-15-10-8-14/h12,15H,2-11H2,1H3

InChIKey

IEGLNJMIAVNESK-UHFFFAOYSA-N

Compound name

ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 239.18852 Da
Monoisotopic Mass: 2.8
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]+	240.19580	160.6
[M+Na]+	262.17774	162.1
[M-H]-	238.18124	161.3
[M+NH4]+	257.22234	177.7
[M+K]+	278.15168	159.5
[M+H-H2O]+	222.18578	153.2
[M+HCOO]-	284.18672	172.9
[M+CH3COO]-	298.20237	187.5
[M+Na-2H]-	260.16319	162.4
[M]+	239.18797	152.1
[M]-	239.18907	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe