CID 5271569

Dibutyl maleate

Structural Information

Molecular Formula

C₁₂H₂₀O₄

SMILES

CCCCOC(=O)/C=C\C(=O)OCCCC

InChI

InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-

InChIKey

JBSLOWBPDRZSMB-FPLPWBNLSA-N

Compound name

dibutyl (Z)-but-2-enedioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 17
References: 41862
Patents: 228.13615 Da
Monoisotopic Mass: 2.7
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]+	229.14343	154.9
[M+Na]+	251.12537	162.9
[M+NH4]+	246.16997	159.9
[M+K]+	267.09931	157.9
[M-H]-	227.12887	152.0
[M+Na-2H]-	249.11082	155.5
[M]+	228.13560	154.7
[M]-	228.13670	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe