CID 199870

2-oxo-1-oxa-3-azaspiro(4.6)undecane-3-carboxylic acid dimethylaminoethyl ester hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₄N₂O₄

SMILES

CN(C)CCOC(=O)N1CC2(CCCCCC2)OC1=O

InChI

InChI=1S/C14H24N2O4/c1-15(2)9-10-19-12(17)16-11-14(20-13(16)18)7-5-3-4-6-8-14/h3-11H2,1-2H3

InChIKey

OUTNOTQDSCDCSV-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-oxo-1-oxa-3-azaspiro[4.6]undecane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.1736 Da
Monoisotopic Mass: 2.3
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]+	285.180876	162.4
[M+Na]+	307.162818	164.2
[M-H]-	283.166324	168.4
[M+NH4]+	302.207423	178.2
[M+K]+	323.136758	168.5
[M+H-H2O]+	267.170860	154.9
[M+HCOO]-	329.171801	179.1
[M+CH3COO]-	343.187451	202.5
[M+Na-2H]-	305.148266	163.5
[M]+	284.17305142	158.4
[M]-	284.17414858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.