CID 5462730

Bis(2-methoxyethyl) maleate

Structural Information

Molecular Formula

C₁₀H₁₆O₆

SMILES

COCCOC(=O)/C=C\C(=O)OCCOC

InChI

InChI=1S/C10H16O6/c1-13-5-7-15-9(11)3-4-10(12)16-8-6-14-2/h3-4H,5-8H2,1-2H3/b4-3-

InChIKey

INJVHPRSHKTTBD-ARJAWSKDSA-N

Compound name

bis(2-methoxyethyl) (Z)-but-2-enedioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 152
Patents: 232.09468 Da
Monoisotopic Mass: -0.1
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]+	233.101956	150.0
[M+Na]+	255.083898	156.0
[M-H]-	231.087404	149.8
[M+NH4]+	250.128503	167.8
[M+K]+	271.057838	156.8
[M+H-H2O]+	215.091940	144.2
[M+HCOO]-	277.092881	172.6
[M+CH3COO]-	291.108531	188.2
[M+Na-2H]-	253.069346	152.9
[M]+	232.09413142	158.0
[M]-	232.09522858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe