CID 116461

Hexatriacontenylsuccinic anhydrde

Structural Information

Molecular Formula
C40H74O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=O)OC1=O
InChI
InChI=1S/C40H74O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-37-39(41)43-40(38)42/h37H,2-36H2,1H3
InChIKey
HDSXLLORABRJOP-UHFFFAOYSA-N
Compound name
3-hexatriacontylfuran-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.5638 Da
Monoisotopic Mass

19.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.571076 271.5
[M+Na]+ 625.553018 270.8
[M-H]- 601.556524 243.5
[M+NH4]+ 620.597623 261.5
[M+K]+ 641.526958 258.7
[M+H-H2O]+ 585.561060 260.8
[M+HCOO]- 647.562001 278.9
[M+CH3COO]- 661.577651 269.1
[M+Na-2H]- 623.538466 259.9
[M]+ 602.56325142 263.8
[M]- 602.56434858 263.8
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.