CID 71416843

Bis-ethoxydiglycol succinate

Structural Information

Molecular Formula

C₁₆H₃₀O₈

SMILES

CCOCCOCCOC(=O)CCC(=O)OCCOCCOCC

InChI

InChI=1S/C16H30O8/c1-3-19-7-9-21-11-13-23-15(17)5-6-16(18)24-14-12-22-10-8-20-4-2/h3-14H2,1-2H3

InChIKey

MGQKBAKCRHGMEI-UHFFFAOYSA-N

Compound name

bis[2-(2-ethoxyethoxy)ethyl] butanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 188
Patents: 350.19406 Da
Monoisotopic Mass: 0.0
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]+	351.201336	182.7
[M+Na]+	373.183278	185.4
[M-H]-	349.186784	181.1
[M+NH4]+	368.227883	198.9
[M+K]+	389.157218	186.6
[M+H-H2O]+	333.191320	175.1
[M+HCOO]-	395.192261	207.3
[M+CH3COO]-	409.207911	211.5
[M+Na-2H]-	371.168726	182.8
[M]+	350.19351142	196.6
[M]-	350.19460858	196.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe