CID 66183

Diallyl isophthalate

Structural Information

Molecular Formula

C₁₄H₁₄O₄

SMILES

C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C

InChI

InChI=1S/C14H14O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-7,10H,1-2,8-9H2

InChIKey

OOORLLSLMPBSPT-UHFFFAOYSA-N

Compound name

bis(prop-2-enyl) benzene-1,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3633
Patents: 246.0892 Da
Monoisotopic Mass: 2.9
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]+	247.09648	155.7
[M+Na]+	269.07842	166.6
[M+NH4]+	264.12302	161.4
[M+K]+	285.05236	161.0
[M-H]-	245.08192	155.5
[M+Na-2H]-	267.06387	159.9
[M]+	246.08865	156.8
[M]-	246.08975	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe