CID 199588

Ethylene azelate

Structural Information

Molecular Formula

C₁₁H₁₈O₄

SMILES

C1CCCC(=O)OCCOC(=O)CCC1

InChI

InChI=1S/C11H18O4/c12-10-6-4-2-1-3-5-7-11(13)15-9-8-14-10/h1-9H2

InChIKey

QABJRPWOBYCMBO-UHFFFAOYSA-N

Compound name

1,4-dioxacyclotridecane-5,13-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 307
Patents: 214.12051 Da
Monoisotopic Mass: 2.0
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]+	215.12779	144.6
[M+Na]+	237.10973	148.3
[M-H]-	213.11323	146.6
[M+NH4]+	232.15433	157.3
[M+K]+	253.08367	150.7
[M+H-H2O]+	197.11777	142.3
[M+HCOO]-	259.11871	160.5
[M+CH3COO]-	273.13436	177.5
[M+Na-2H]-	235.09518	148.6
[M]+	214.11996	137.5
[M]-	214.12106	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe