CID 91290213

Dtxsid001023134

Structural Information

Molecular Formula

C₂₄H₃₂O₆

SMILES

CCC(COC(=O)C=CC=CC)(COC(=O)C=CC=CC)COC(=O)C=CC=CC

InChI

InChI=1S/C24H32O6/c1-5-9-12-15-21(25)28-18-24(8-4,19-29-22(26)16-13-10-6-2)20-30-23(27)17-14-11-7-3/h5-7,9-17H,8,18-20H2,1-4H3

InChIKey

PCHCYDHTWIHPGA-UHFFFAOYSA-N

Compound name

2,2-bis(hexa-2,4-dienoyloxymethyl)butyl hexa-2,4-dienoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 29
Patents: 416.21988 Da
Monoisotopic Mass: 5.3
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]+	417.227156	200.6
[M+Na]+	439.209098	211.8
[M-H]-	415.212604	200.5
[M+NH4]+	434.253703	210.1
[M+K]+	455.183038	206.5
[M+H-H2O]+	399.217140	202.3
[M+HCOO]-	461.218081	215.9
[M+CH3COO]-	475.233731	221.9
[M+Na-2H]-	437.194546	194.0
[M]+	416.21933142	202.7
[M]-	416.22042858	202.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe