CID 86390

130066-57-8

Structural Information

Molecular Formula

C₂₀H₂₆O₆

SMILES

C=COCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCOC=C

InChI

InChI=1S/C20H26O6/c1-3-23-12-5-7-14-25-19(21)17-10-9-11-18(16-17)20(22)26-15-8-6-13-24-4-2/h3-4,9-11,16H,1-2,5-8,12-15H2

InChIKey

KZYBDOUJLUPBEH-UHFFFAOYSA-N

Compound name

bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1034
Patents: 362.17294 Da
Monoisotopic Mass: 4.3
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]+	363.180216	187.0
[M+Na]+	385.162158	190.9
[M-H]-	361.165664	189.0
[M+NH4]+	380.206763	199.2
[M+K]+	401.136098	188.3
[M+H-H2O]+	345.170200	178.7
[M+HCOO]-	407.171141	208.0
[M+CH3COO]-	421.186791	214.6
[M+Na-2H]-	383.147606	186.5
[M]+	362.17239142	195.7
[M]-	362.17348858	195.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe