CID 116460

Dotetracontenylsuccinic anhydride

Structural Information

Molecular Formula
C46H86O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=O)OC1=O
InChI
InChI=1S/C46H86O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-43-45(47)49-46(44)48/h43H,2-42H2,1H3
InChIKey
JBCFSRISRPPVPB-UHFFFAOYSA-N
Compound name
3-dotetracontylfuran-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

686.6577 Da
Monoisotopic Mass

22.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 687.66498 281.8
[M+Na]+ 709.64692 290.0
[M-H]- 685.65042 261.5
[M+NH4]+ 704.69152 281.5
[M+K]+ 725.62086 291.1
[M+H-H2O]+ 669.65496 283.5
[M+HCOO]- 731.65590 296.9
[M+CH3COO]- 745.67155 285.5
[M+Na-2H]- 707.63237 262.2
[M]+ 686.65715 283.6
[M]- 686.65825 283.6
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.