CID 113203

Dtxsid6069826

Structural Information

Molecular Formula
C24H38O8
SMILES
CCCCCCOC(=O)C=CC(=O)OCCCCOC(=O)C=CC(=O)OCCCCCC
InChI
InChI=1S/C24H38O8/c1-3-5-7-9-17-29-21(25)13-15-23(27)31-19-11-12-20-32-24(28)16-14-22(26)30-18-10-8-6-4-2/h13-16H,3-12,17-20H2,1-2H3
InChIKey
RZGVXOAFMQQLRO-UHFFFAOYSA-N
Compound name
4-O-[4-(4-hexoxy-4-oxobut-2-enoyl)oxybutyl] 1-O-hexyl but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.25668 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.26396 218.2
[M+Na]+ 477.24590 220.3
[M+NH4]+ 472.29050 222.2
[M+K]+ 493.21984 219.1
[M-H]- 453.24940 212.8
[M+Na-2H]- 475.23135 222.9
[M]+ 454.25613 217.4
[M]- 454.25723 217.4
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

No patent data available for this compound.