CID 76003

Diallyl itaconate

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

C=CCOC(=O)CC(=C)C(=O)OCC=C

InChI

InChI=1S/C11H14O4/c1-4-6-14-10(12)8-9(3)11(13)15-7-5-2/h4-5H,1-3,6-8H2

InChIKey

LOFFYVIZWSPGIT-UHFFFAOYSA-N

Compound name

bis(prop-2-enyl) 2-methylidenebutanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3011
Patents: 210.0892 Da
Monoisotopic Mass: 1.8
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]+	211.09648	148.7
[M+Na]+	233.07842	156.6
[M+NH4]+	228.12302	153.2
[M+K]+	249.05236	152.6
[M-H]-	209.08192	145.1
[M+Na-2H]-	231.06387	149.0
[M]+	210.08865	148.2
[M]-	210.08975	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe