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
2
Annotation Hits

0
References

34
Patents

416.21988 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.22716 200.6
[M+Na]+ 439.20910 211.8
[M-H]- 415.21260 200.5
[M+NH4]+ 434.25370 210.1
[M+K]+ 455.18304 206.5
[M+H-H2O]+ 399.21714 202.3
[M+HCOO]- 461.21808 215.9
[M+CH3COO]- 475.23373 221.9
[M+Na-2H]- 437.19455 194.0
[M]+ 416.21933 202.7
[M]- 416.22043 202.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe