CID 116459

Tetratetracontenylsuccinic anhydride

Structural Information

Molecular Formula
C48H90O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=O)OC1=O
InChI
InChI=1S/C48H90O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-46-45-47(49)51-48(46)50/h45H,2-44H2,1H3
InChIKey
IIFOBDXCPFDARW-UHFFFAOYSA-N
Compound name
3-tetratetracontylfuran-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

714.689 Da
Monoisotopic Mass

23.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.69628 288.3
[M+Na]+ 737.67822 296.2
[M-H]- 713.68172 267.3
[M+NH4]+ 732.72282 288.0
[M+K]+ 753.65216 298.2
[M+H-H2O]+ 697.68626 289.9
[M+HCOO]- 759.68720 302.7
[M+CH3COO]- 773.70285 290.9
[M+Na-2H]- 735.66367 268.0
[M]+ 714.68845 290.1
[M]- 714.68955 290.1
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.